| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 30.4 | Very low | 37 | Very low | 228 Ų | 228 | 102.3 Ų | 102.3 | 100% | 1.123 | 53% | 0.527 | S | S | * | . | 0 | 101.3 | 0 | -167.3 | -179.2 | -77.8 | 0 | 0 | 105.5 | C3 | M1-C3 VanDerWaalsContact C-N 3.34Å; M1-C3 PolarHBondContact O-N 3.25Å | |||
| 2 | L | 30.9 | Very low | 36.4 | Very low | 149 Ų | 149 | 102.5 Ų | 102.5 | 78% | 0.78 | 54% | 0.544 | S | S | * | . | trans | -66.9 | 92.6 | -177.2 | -80.7 | 146.9 | 0 | 0 | 0 | 108.1 | F4 | L2-F4 WeakPolarHBondContact O-CD2 3.48Å; L2-F4 PolarHBondContact O-N 3.02Å; L2-F4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | C | 32.1 | Very low | 35.8 | Very low | 81 Ų | 81 | 102.5 Ų | 102.5 | 55% | 0.547 | 56% | 0.558 | S | S | . | * | trans | -66.7 | 108.4 | 168.5 | -72.4 | 0 | 0 | 0 | 0 | 106.6 | M1 L5 L45 | M1-C3 VanDerWaalsContact C-N 3.34Å; M1-C3 PolarHBondContact O-N 3.25Å; C3-L5 PolarHBondContact O-N 3.19Å; C3-L45 HydrophobicContact CB-CD2 4.33Å | ||
| 4 | F | 38.1 | Very low | 34.9 | Very low | 176 Ų | 176 | 106.4 Ų | 106.4 | 77% | 0.772 | 58% | 0.576 | S | S | * | * | trans | -62.9 | 99.1 | 173.9 | -61.8 | -86.4 | 0 | 0 | 0 | 107.7 | L2 V6 | L2-F4 WeakPolarHBondContact O-CD2 3.48Å; L2-F4 PolarHBondContact O-N 3.02Å; L2-F4 VanDerWaalsContact O-N 3.09Å; F4-V6 PolarHBondContact O-N 2.81Å | ||
| 5 | L | 31.8 | Very low | 34.3 | Very low | 57 Ų | 57 | 110.3 Ų | 110.3 | 30% | 0.298 | 60% | 0.597 | S | S | . | * | trans | -64.2 | 127.8 | 175.6 | -67.9 | 169.8 | 0 | 0 | 0 | 108.4 | C3 E7 E44 L45 N47 | C3-L5 PolarHBondContact O-N 3.19Å; L5-E7 PolarHBondContact O-N 2.9Å; L5-E44 WeakPolarHBondContact CD2-O 3.37Å; L5-L45 WeakPolarHBondContact CD2-O 3.38Å; L5-N47 HydrophobicContact CB-CB 4.12Å | ||
| 6 | V | 35.8 | Very low | 33.5 | Very low | 31 Ų | 31 | 113.5 Ų | 113.5 | 19% | 0.188 | 61% | 0.612 | C | S | . | * | B | Isolated β-bridge | trans | -76.1 | 120.2 | 178 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | F4 V8 L38 L41 L45 N47 | F4-V6 PolarHBondContact O-N 2.81Å; V6-V8 HydrophobicContact CG1-CG2 3.75Å; V6-V8 PolarHBondContact O-N 3.19Å; V6-L38 HydrophobicContact CB-CD2 4.28Å; V6-L38 HydrophobicContact CG1-CD1 4.35Å; V6-L38 HydrophobicContact CG1-CD2 3.62Å; V6-L38 HydrophobicContact CG2-CD2 3.92Å; V6-L41 HydrophobicContact CG2-CD1 3.8Å; V6-L45 PolarHBondContact N-O 2.95Å; V6-N47 PolarHBondContact O-N 3.46Å |
| 7 | E | 40.8 | Very low | 32.9 | Very low | 150 Ų | 150 | 118.6 Ų | 118.6 | 70% | 0.701 | 63% | 0.627 | S | S | * | * | trans | -73.3 | 107.2 | 159.1 | -61.2 | -155.1 | 136.5 | 0 | 0 | 107.8 | L5 P9 N47 | L5-E7 PolarHBondContact O-N 2.9Å; E7-P9 WeakPolarHBondContact O-CD 3.45Å; E7-N47 WeakPolarHBondContact CG-ND2 3.39Å | ||
| 8 | V | 39.7 | Very low | 32.3 | Very low | 24 Ų | 24 | 121.8 Ų | 121.8 | 15% | 0.145 | 64% | 0.638 | C | S | . | * | trans | -96.8 | 96.7 | 162.3 | -174.1 | 0 | 0 | 0 | 0 | 106.6 | V6 M10 Y46 | V6-V8 HydrophobicContact CG1-CG2 3.75Å; V6-V8 PolarHBondContact O-N 3.19Å; V8-M10 PolarHBondContact O-N 3.2Å; V8-M10 VanDerWaalsContact O-N 3.08Å; V8-Y46 HydrophobicContact CG2-CD1 4.31Å; V8-Y46 HydrophobicContact CG2-CE1 4.35Å | ||
| 9 | P | 44.2 | Very low | 31.8 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 58% | 0.584 | 64% | 0.643 | S | S | * | * | trans | -68.1 | 112.8 | 171 | 27.6 | -30.6 | 0 | 0 | 0 | 107 | E7 E11 | E7-P9 WeakPolarHBondContact O-CD 3.45Å; P9-E11 PolarHBondContact O-N 2.91Å | ||
| 10 | M | 49.3 | Very low | 31.2 | Very low | 17 Ų | 17 | 125.1 Ų | 125.1 | 8% | 0.084 | 65% | 0.654 | C | S | . | * | S | Bend | trans | -65.5 | 79 | 154.4 | -71.1 | -137.6 | -54.6 | 0 | 0 | 107 | V8 F70 W125 L141 | V8-M10 PolarHBondContact O-N 3.2Å; V8-M10 VanDerWaalsContact O-N 3.08Å; M10-F70 HydrophobicContact CE-CE1 3.68Å; M10-F70 HydrophobicContact CE-CZ 3.45Å; M10-F70 VanDerWaalsContact CE-CZ 3.45Å; M10-W125 HydrophobicContact CB-CD2 3.53Å; M10-W125 HydrophobicContact CB-CE3 3.98Å; M10-W125 HydrophobicContact CB-CG 3.93Å; M10-W125 HydrophobicContact CB-CH2 4.22Å; M10-W125 HydrophobicContact CB-CZ2 3.78Å; M10-W125 HydrophobicContact CB-CZ3 4.29Å; M10-W125 HydrophobicContact CE-CB 3.24Å; M10-W125 HydrophobicContact CE-CD2 3.94Å; M10-W125 HydrophobicContact CE-CG 3.3Å; M10-W125 HydrophobicContact CG-CD2 3.77Å; M10-W125 HydrophobicContact CG-CE3 3.82Å; M10-W125 HydrophobicContact CG-CG 4.16Å; M10-W125 HydrophobicContact CG-CZ3 4.25Å; M10-W125 HydrophobicContact SD-CB 3.36Å; M10-W125 WeakPolarHBondContact SD-CB 3.06Å; M10-W125 HydrophobicContact SD-CD2 3.32Å; M10-W125 HydrophobicContact SD-CE3 3.36Å; M10-W125 HydrophobicContact SD-CG 3.3Å; M10-W125 HydrophobicContact SD-CZ3 4.3Å; M10-L141 HydrophobicContact CE-CB 4.32Å |
| 11 | E | 34.2 | Very low | 30.9 | Very low | 122 Ų | 122 | 130 Ų | 130 | 57% | 0.57 | 67% | 0.666 | S | S | * | * | trans | 57.7 | 133.4 | -173.9 | -80.8 | 152.2 | -166.4 | 0 | 0 | 122.5 | P9 S13 W125 | P9-E11 PolarHBondContact O-N 2.91Å; E11-S13 PolarHBondContact O-N 3.23Å; E11-W125 HydrophobicContact CB-CH2 3.99Å; E11-W125 HydrophobicContact CB-CZ2 3.59Å; E11-W125 VanDerWaalsContact CD-CH2 3.43Å; E11-W125 HydrophobicContact CG-CH2 3.51Å; E11-W125 HydrophobicContact CG-CZ2 3.62Å | ||
| 12 | S | 29.2 | Very low | 30.7 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 73% | 0.734 | 65% | 0.649 | S | S | * | * | trans | -52 | 103.7 | 156.9 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 13 | S | 28.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 72% | 0.72 | 66% | 0.656 | S | S | * | * | trans | -100.1 | 106.4 | 151.5 | 61.4 | 0 | 0 | 0 | 0 | 108.4 | E11 N15 | E11-S13 PolarHBondContact O-N 3.23Å; S13-N15 PolarHBondContact O-N 2.95Å | ||
| 14 | L | 23.6 | Very low | 30.1 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | trans | -29 | 123.1 | 169.2 | -71.9 | 119.5 | 0 | 0 | 0 | 114.8 | ||||
| 15 | N | 25.1 | Very low | 29.5 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 88% | 0.882 | 65% | 0.654 | S | S | * | * | trans | -168.4 | 113.4 | 130.9 | -103.2 | -37.5 | 0 | 0 | 0 | 111.1 | S13 K17 | S13-N15 PolarHBondContact O-N 2.95Å; N15-K17 PolarHBondContact O-N 3.41Å | ||
| 16 | L | 21.8 | Very low | 29.4 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 84% | 0.843 | 67% | 0.669 | S | S | * | * | trans | -60.8 | 111.4 | 174.7 | -74 | 137.3 | 0 | 0 | 0 | 111.3 | ||||
| 17 | K | 24 | Very low | 29.2 | Very low | 200 Ų | 200 | 127 Ų | 127 | 87% | 0.87 | 68% | 0.68 | S | S | * | * | trans | -150.7 | 95.6 | 142.3 | -75.7 | -160.2 | 178.2 | 175.8 | 0 | 108.8 | N15 P19 | N15-K17 PolarHBondContact O-N 3.41Å; K17-P19 WeakPolarHBondContact O-CD 3.43Å | ||
| 18 | Q | 22.1 | Very low | 28.6 | Very low | 176 Ų | 176 | 124.6 Ų | 124.6 | 82% | 0.822 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 131.2 | 169.9 | -72.1 | 179.8 | -23.1 | 0 | 0 | 110.3 | ||
| 19 | P | 22.3 | Very low | 28.1 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -97 | 127.8 | 150.6 | 8.3 | 12.1 | 0 | 0 | 0 | 109.1 | K17 Y21 | K17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-Y21 PolarHBondContact O-N 2.91Å |
| 20 | F | 21 | Very low | 27.6 | Very low | 197 Ų | 197 | 132.4 Ų | 132.4 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 118.9 | 173 | -86.6 | -108.3 | 0 | 0 | 0 | 112.3 | ||
| 21 | Y | 24.5 | Very low | 27 | Very low | 230 Ų | 230 | 137.5 Ų | 137.5 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | trans | -143.5 | 145.3 | 155.7 | -89.7 | -80.5 | 0 | 0 | 0 | 110.2 | P19 | P19-Y21 PolarHBondContact O-N 2.91Š| ||
| 22 | G | 25.4 | Very low | 27.1 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | trans | -53.9 | 152 | -163.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | V24 | G22-V24 PolarHBondContact O-N 3.16Å; G22-V24 VanDerWaalsContact O-N 3.14Å | ||
| 23 | E | 23 | Very low | 27.5 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 93% | 0.93 | 72% | 0.721 | S | S | * | * | trans | -58.6 | 97.8 | -167.4 | -63.3 | 170.6 | 155.3 | 0 | 0 | 114.7 | ||||
| 24 | V | 26.9 | Very low | 28.2 | Very low | 119 Ų | 119 | 137 Ų | 137 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | trans | -124.7 | 106.1 | 134.2 | -179.8 | 0 | 0 | 0 | 0 | 105.9 | G22 V26 | G22-V24 PolarHBondContact O-N 3.16Å; G22-V24 VanDerWaalsContact O-N 3.14Å; V24-V26 VanDerWaalsContact C-N 3.35Å; V24-V26 PolarHBondContact O-N 3.46Å | ||
| 25 | N | 25.7 | Very low | 29.2 | Very low | 107 Ų | 107 | 138 Ų | 138 | 57% | 0.572 | 71% | 0.709 | S | S | * | * | trans | -73.7 | 85.1 | -171.5 | -158.6 | -10.3 | 0 | 0 | 0 | 109.8 | S27 T28 | N25-S27 PolarHBondContact O-N 2.9Å; N25-S27 PolarHBondContact OD1-OG 2.93Å; N25-T28 PolarHBondContact O-N 2.92Å; N25-T28 PolarHBondContact O-OG1 3.2Å | ||
| 26 | V | 31.1 | Very low | 30.2 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 60% | 0.6 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -57.3 | -21.5 | 179 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | V24 T28 Y29 V30 | V24-V26 VanDerWaalsContact C-N 3.35Å; V24-V26 PolarHBondContact O-N 3.46Å; V26-T28 PolarHBondContact O-N 2.91Å; V26-Y29 PolarHBondContact O-N 3.01Å; V26-V30 HydrophobicContact CG1-CG2 3.92Å; V26-V30 PolarHBondContact O-N 3.45Å |
| 27 | S | 30.5 | Very low | 31.6 | Very low | 60 Ų | 60 | 133.9 Ų | 133.9 | 42% | 0.42 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -61.3 | -25.7 | 178.2 | 75 | 0 | 0 | 0 | 0 | 113.9 | N25 N31 | N25-S27 PolarHBondContact O-N 2.9Å; N25-S27 PolarHBondContact OD1-OG 2.93Å; S27-N31 WeakPolarHBondContact O-CB 3.35Å; S27-N31 VanDerWaalsContact O-CG 3.27Å; S27-N31 PolarHBondContact O-ND2 3.34Å |
| 28 | T | 28.6 | Very low | 32.9 | Very low | 99 Ų | 99 | 126 Ų | 126 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -84.1 | -26.8 | 177.9 | 43 | 0 | 0 | 0 | 0 | 113.7 | N25 V26 | N25-T28 PolarHBondContact O-N 2.92Å; N25-T28 PolarHBondContact O-OG1 3.2Å; V26-T28 PolarHBondContact O-N 2.91Å |
| 29 | Y | 28.3 | Very low | 34.5 | Very low | 198 Ų | 198 | 120.3 Ų | 120.3 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.7 | -32 | 177.9 | -123.9 | -89.4 | 0 | 0 | 0 | 112.5 | V26 | V26-Y29 PolarHBondContact O-N 3.01Å |
| 30 | V | 34.6 | Very low | 36.5 | Very low | 81 Ų | 81 | 122.6 Ų | 122.6 | 49% | 0.491 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -81.5 | -23.4 | -179.3 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | V26 N32 | V26-V30 HydrophobicContact CG1-CG2 3.92Å; V26-V30 PolarHBondContact O-N 3.45Å; V30-N32 PolarHBondContact O-N 3.14Å |
| 31 | N | 36.5 | Very low | 39.3 | Very low | 124 Ų | 124 | 115.4 Ų | 115.4 | 66% | 0.663 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -12 | -171.4 | -84.3 | -22.1 | 0 | 0 | 0 | 116.1 | S27 | S27-N31 WeakPolarHBondContact O-CB 3.35Å; S27-N31 VanDerWaalsContact O-CG 3.27Å; S27-N31 PolarHBondContact O-ND2 3.34Å |
| 32 | N | 36.2 | Very low | 42.2 | Very low | 149 Ų | 149 | 107.4 Ų | 107.4 | 80% | 0.797 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | -6.2 | -178.5 | -77.7 | -22.7 | 0 | 0 | 0 | 115.7 | V30 Q34 | V30-N32 PolarHBondContact O-N 3.14Å; N32-Q34 PolarHBondContact O-N 3.41Å |
| 33 | V | 37.7 | Very low | 45.2 | Very low | 59 Ų | 59 | 105.3 Ų | 105.3 | 36% | 0.358 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -87.1 | 100.4 | 172.6 | -175.6 | 0 | 0 | 0 | 0 | 107.4 | K35 Q37 | V33-K35 PolarHBondContact O-N 3.31Å; V33-Q37 HydrophobicContact CG1-CB 3.94Å; V33-Q37 VanDerWaalsContact CG1-OE1 3.29Å |
| 34 | Q | 43.3 | Very low | 48.2 | Very low | 112 Ų | 112 | 101 Ų | 101 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | trans | -28 | 128 | 178.8 | -68.9 | 162.6 | -23.6 | 0 | 0 | 112.5 | N32 E36 Q37 | N32-Q34 PolarHBondContact O-N 3.41Å; Q34-E36 HydrophobicContact CB-CB 4.46Å; Q34-E36 PolarHBondContact O-N 3.23Å; Q34-Q37 HydrophobicContact CB-CG 4.24Å; Q34-Q37 WeakPolarHBondContact O-CB 3.3Å; Q34-Q37 PolarHBondContact O-N 2.85Å | ||
| 35 | K | 45.3 | Very low | 51.1 | Low | 176 Ų | 176 | 97.7 Ų | 97.7 | 77% | 0.765 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -41.7 | -36.9 | 169.8 | -103.1 | 176.5 | 171.5 | 176.7 | 0 | 112.7 | V33 Q37 L38 E39 | V33-K35 PolarHBondContact O-N 3.31Å; K35-Q37 VanDerWaalsContact C-N 3.32Å; K35-Q37 PolarHBondContact O-N 3.15Å; K35-L38 PolarHBondContact O-N 3.32Å; K35-E39 PolarHBondContact O-N 2.78Å |
| 36 | E | 46.5 | Very low | 54.1 | Low | 138 Ų | 138 | 92.7 Ų | 92.7 | 65% | 0.645 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.5 | -30.1 | 177 | -64.7 | 179.5 | 169 | 0 | 0 | 114.5 | Q34 | Q34-E36 HydrophobicContact CB-CB 4.46Å; Q34-E36 PolarHBondContact O-N 3.23Å |
| 37 | Q | 50.2 | Low | 56.9 | Low | 103 Ų | 103 | 88.9 Ų | 88.9 | 48% | 0.481 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -78.7 | -34.4 | 177.8 | -69.7 | -174.2 | 18.8 | 0 | 0 | 111.8 | V33 Q34 K35 E39 K40 | V33-Q37 HydrophobicContact CG1-CB 3.94Å; V33-Q37 VanDerWaalsContact CG1-OE1 3.29Å; Q34-Q37 HydrophobicContact CB-CG 4.24Å; Q34-Q37 WeakPolarHBondContact O-CB 3.3Å; Q34-Q37 PolarHBondContact O-N 2.85Å; K35-Q37 VanDerWaalsContact C-N 3.32Å; K35-Q37 PolarHBondContact O-N 3.15Å; Q37-E39 PolarHBondContact O-N 2.84Å; Q37-K40 PolarHBondContact O-N 3.37Å |
| 38 | L | 50.6 | Low | 59.9 | Low | 34 Ų | 34 | 86.4 Ų | 86.4 | 18% | 0.178 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 175.1 | -73.4 | 177.7 | 0 | 0 | 0 | 111.2 | V6 K35 K40 L41 Y46 | V6-L38 HydrophobicContact CB-CD2 4.28Å; V6-L38 HydrophobicContact CG1-CD1 4.35Å; V6-L38 HydrophobicContact CG1-CD2 3.62Å; V6-L38 HydrophobicContact CG2-CD2 3.92Å; K35-L38 PolarHBondContact O-N 3.32Å; L38-K40 PolarHBondContact O-N 2.81Å; L38-K40 VanDerWaalsContact O-N 3.1Å; L38-L41 HydrophobicContact CD2-CD1 3.72Å; L38-L41 PolarHBondContact O-N 2.9Å; L38-Y46 PolarHBondContact O-OH 3.03Å |
| 39 | E | 55.7 | Low | 63.1 | Low | 56 Ų | 56 | 83.2 Ų | 83.2 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.3 | -178.5 | -70.2 | 172.1 | 179 | 0 | 0 | 113.9 | K35 Q37 | K35-E39 PolarHBondContact O-N 2.78Å; Q37-E39 PolarHBondContact O-N 2.84Å |
| 40 | K | 65.5 | Low | 66.4 | Low | 161 Ų | 161 | 73.8 Ų | 73.8 | 70% | 0.7 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 12.6 | -175.2 | -64.7 | -177.6 | -178.9 | 176.3 | 0 | 114.3 | Q37 L38 | Q37-K40 PolarHBondContact O-N 3.37Å; L38-K40 PolarHBondContact O-N 2.81Å; L38-K40 VanDerWaalsContact O-N 3.1Å |
| 41 | L | 78.9 | Confident | 69.2 | Low | 45 Ų | 45 | 70.3 Ų | 70.3 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -68.6 | 147.2 | 176.4 | -65.1 | 176.3 | 0 | 0 | 0 | 111 | V6 L38 L45 Y46 | V6-L41 HydrophobicContact CG2-CD1 3.8Å; L38-L41 HydrophobicContact CD2-CD1 3.72Å; L38-L41 PolarHBondContact O-N 2.9Å; L41-L45 HydrophobicContact CB-CB 4.39Å; L41-L45 HydrophobicContact CB-CD1 4.39Å; L41-L45 HydrophobicContact CD2-CD1 4.15Å; L41-Y46 HydrophobicContact CB-CE2 4.04Å; L41-Y46 VanDerWaalsContact O-CE2 3.29Å; L41-Y46 WeakPolarHBondContact O-CE2 3.32Å |
| 42 | P | 85.6 | Confident | 71.9 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | trans | -53.4 | 144.4 | 166.9 | -24.9 | 33.3 | 0 | 0 | 0 | 111.8 | E44 L45 | P42-E44 HydrophobicContact CB-CG 4.02Å; P42-E44 WeakPolarHBondContact CB-OE1 3.4Å; P42-E44 WeakPolarHBondContact CB-OE2 3.24Å; P42-E44 PolarHBondContact O-N 2.99Å; P42-E44 VanDerWaalsContact O-N 3.13Å; P42-L45 HydrophobicContact CG-CD1 4.46Å; P42-L45 PolarHBondContact O-N 3.49Å | ||
| 43 | L | 87.9 | Confident | 74.6 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -57.2 | -34.3 | -173.4 | -178.8 | 59.4 | 0 | 0 | 0 | 112.2 | L45 Y46 Y48 Y49 I72 I84 V117 | L43-L45 PolarHBondContact O-N 3.41Å; L43-L45 VanDerWaalsContact O-N 3.17Å; L43-Y46 HydrophobicContact CD1-CD2 4.25Å; L43-Y46 WeakPolarHBondContact O-CD2 3.49Å; L43-Y46 PolarHBondContact O-N 2.88Å; L43-Y48 HydrophobicContact CD1-CE2 4.05Å; L43-Y49 HydrophobicContact CD1-CD2 4.29Å; L43-Y49 HydrophobicContact CD1-CG 4.33Å; L43-Y49 HydrophobicContact CD2-CD2 3.73Å; L43-Y49 HydrophobicContact CD2-CE2 3.74Å; L43-Y49 HydrophobicContact CD2-CG 4.32Å; L43-Y49 HydrophobicContact CG-CD1 4.31Å; L43-Y49 HydrophobicContact CG-CD2 3.72Å; L43-Y49 HydrophobicContact CG-CE2 4.11Å; L43-Y49 HydrophobicContact CG-CG 3.8Å; L43-Y49 WeakPolarHBondContact O-CB 3.39Å; L43-I72 HydrophobicContact CD2-CG2 4.34Å; L43-I84 HydrophobicContact CD2-CD1 3.83Å; L43-I84 HydrophobicContact CD2-CG1 4.3Å; L43-I84 HydrophobicContact CD2-CG2 4.23Å; L43-V117 HydrophobicContact CD1-CB 4.23Å; L43-V117 HydrophobicContact CD1-CG1 4.24Å; L43-V117 HydrophobicContact CD2-CG2 4.32Å |
| 44 | E | 85.9 | Confident | 77.3 | Confident | 109 Ų | 109 | 55.6 Ų | 55.6 | 51% | 0.509 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -60.1 | -19.8 | 177.8 | 57.6 | -91.9 | -154.2 | 0 | 0 | 114.9 | L5 P42 Y49 | L5-E44 WeakPolarHBondContact CD2-O 3.37Å; P42-E44 HydrophobicContact CB-CG 4.02Å; P42-E44 WeakPolarHBondContact CB-OE1 3.4Å; P42-E44 WeakPolarHBondContact CB-OE2 3.24Å; P42-E44 PolarHBondContact O-N 2.99Å; P42-E44 VanDerWaalsContact O-N 3.13Å; E44-Y49 HydrophobicContact CB-CD1 4.46Å; E44-Y49 HydrophobicContact CB-CE1 4.41Å |
| 45 | L | 87.9 | Confident | 79.7 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -88.6 | -9.3 | 179.9 | -60.4 | -174 | 0 | 0 | 0 | 113.9 | C3 L5 V6 L41 P42 L43 | C3-L45 HydrophobicContact CB-CD2 4.33Å; L5-L45 WeakPolarHBondContact CD2-O 3.38Å; V6-L45 PolarHBondContact N-O 2.95Å; L41-L45 HydrophobicContact CB-CB 4.39Å; L41-L45 HydrophobicContact CB-CD1 4.39Å; L41-L45 HydrophobicContact CD2-CD1 4.15Å; P42-L45 HydrophobicContact CG-CD1 4.46Å; P42-L45 PolarHBondContact O-N 3.49Å; L43-L45 PolarHBondContact O-N 3.41Å; L43-L45 VanDerWaalsContact O-N 3.17Å |
| 46 | Y | 90.2 | Very high | 82 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -86.2 | 132.5 | 176.9 | -61.7 | -84.7 | 0 | 0 | 0 | 111.3 | V8 L38 L41 L43 Y48 Y49 H118 | V8-Y46 HydrophobicContact CG2-CD1 4.31Å; V8-Y46 HydrophobicContact CG2-CE1 4.35Å; L38-Y46 PolarHBondContact O-OH 3.03Å; L41-Y46 HydrophobicContact CB-CE2 4.04Å; L41-Y46 VanDerWaalsContact O-CE2 3.29Å; L41-Y46 WeakPolarHBondContact O-CE2 3.32Å; L43-Y46 HydrophobicContact CD1-CD2 4.25Å; L43-Y46 WeakPolarHBondContact O-CD2 3.49Å; L43-Y46 PolarHBondContact O-N 2.88Å; Y46-Y48 VanDerWaalsContact CB-CZ 3.49Å; Y46-Y48 AromaticContact CD1-CE1 3.68Å; Y46-Y48 HydrophobicContact CD1-CE1 3.68Å; Y46-Y48 AromaticContact CD1-CZ 3.84Å; Y46-Y48 AromaticContact CG-CE1 3.76Å; Y46-Y48 HydrophobicContact CG-CE1 3.76Å; Y46-Y48 HydrophobicContact CG-CE2 4.29Å; Y46-Y48 AromaticContact CG-CZ 3.56Å; Y46-Y48 PolarHBondContact O-N 3.25Å; Y46-Y48 VanDerWaalsContact O-N 3.12Å; Y46-Y49 WeakPolarHBondContact O-CB 3.42Å; Y46-Y49 PolarHBondContact O-N 3.46Å; Y46-H118 AromaticContact CD1-ND1 3.63Å; Y46-H118 HydrophobicContact CE1-CB 4.15Å; Y46-H118 AromaticContact CE1-CE1 3.47Å; Y46-H118 VanDerWaalsContact CE1-CE1 3.47Å; Y46-H118 WeakPolarHBondContact CE1-CE1 3.44Å; Y46-H118 AromaticContact CE1-CG 3.53Å; Y46-H118 AromaticContact CE1-ND1 3.13Å; Y46-H118 WeakPolarHBondContact CE1-ND1 3.33Å; Y46-H118 HydrophobicContact CE2-CB 3.96Å; Y46-H118 AromaticContact CZ-CG 3.44Å; Y46-H118 VanDerWaalsContact CZ-CG 3.44Å; Y46-H118 AromaticContact CZ-ND1 3.54Å; Y46-H118 WeakPolarHBondContact OH-CB 3.43Å; Y46-H118 VanDerWaalsContact OH-CG 3.26Å |
| 47 | N | 88.5 | Confident | 84.2 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 10% | 0.102 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -24.2 | -178.2 | 72.8 | -18.6 | 0 | 0 | 0 | 114.2 | L5 V6 E7 Y49 G146 R147 | L5-N47 HydrophobicContact CB-CB 4.12Å; V6-N47 PolarHBondContact O-N 3.46Å; E7-N47 WeakPolarHBondContact CG-ND2 3.39Å; N47-Y49 VanDerWaalsContact C-N 3.26Å; N47-Y49 PolarHBondContact O-N 2.82Å; N47-G146 CarbonylContact O-C 3.54Å; N47-G146 VanDerWaalsContact O-CA 3.25Å; N47-G146 WeakPolarHBondContact O-CA 3.42Å; N47-R147 PolarHBondContact O-N 3.08Å |
| 48 | Y | 94.6 | Very high | 86.4 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -2.4 | 178.3 | 63.5 | -111.7 | 0 | 0 | 0 | 113.5 | L43 Y46 H50 I72 H118 L121 V145 | L43-Y48 HydrophobicContact CD1-CE2 4.05Å; Y46-Y48 VanDerWaalsContact CB-CZ 3.49Å; Y46-Y48 AromaticContact CD1-CE1 3.68Å; Y46-Y48 HydrophobicContact CD1-CE1 3.68Å; Y46-Y48 AromaticContact CD1-CZ 3.84Å; Y46-Y48 AromaticContact CG-CE1 3.76Å; Y46-Y48 HydrophobicContact CG-CE1 3.76Å; Y46-Y48 HydrophobicContact CG-CE2 4.29Å; Y46-Y48 AromaticContact CG-CZ 3.56Å; Y46-Y48 PolarHBondContact O-N 3.25Å; Y46-Y48 VanDerWaalsContact O-N 3.12Å; Y48-H50 PolarHBondContact O-CD2 3.04Å; Y48-I72 HydrophobicContact CD2-CB 4.13Å; Y48-I72 HydrophobicContact CD2-CG1 3.65Å; Y48-I72 HydrophobicContact CE2-CB 4.48Å; Y48-I72 HydrophobicContact CE2-CG1 3.86Å; Y48-I72 PolarHBondContact O-N 2.81Å; Y48-H118 AromaticContact CE1-ND1 3.86Å; Y48-H118 AromaticContact CZ-ND1 3.76Å; Y48-H118 WeakPolarHBondContact OH-CB 3.25Å; Y48-H118 PolarHBondContact OH-ND1 3.4Å; Y48-L121 HydrophobicContact CE2-CD1 3.98Å; Y48-V145 WeakPolarHBondContact CA-O 3.49Å |
| 49 | Y | 95.9 | Very high | 88.6 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -95.2 | 112.9 | 172.7 | -179.6 | -111.9 | 0 | 0 | 0 | 110.5 | L43 E44 Y46 N47 A51 I72 A74 I84 R147 | L43-Y49 HydrophobicContact CD1-CD2 4.29Å; L43-Y49 HydrophobicContact CD1-CG 4.33Å; L43-Y49 HydrophobicContact CD2-CD2 3.73Å; L43-Y49 HydrophobicContact CD2-CE2 3.74Å; L43-Y49 HydrophobicContact CD2-CG 4.32Å; L43-Y49 HydrophobicContact CG-CD1 4.31Å; L43-Y49 HydrophobicContact CG-CD2 3.72Å; L43-Y49 HydrophobicContact CG-CE2 4.11Å; L43-Y49 HydrophobicContact CG-CG 3.8Å; L43-Y49 WeakPolarHBondContact O-CB 3.39Å; E44-Y49 HydrophobicContact CB-CD1 4.46Å; E44-Y49 HydrophobicContact CB-CE1 4.41Å; Y46-Y49 WeakPolarHBondContact O-CB 3.42Å; Y46-Y49 PolarHBondContact O-N 3.46Å; N47-Y49 VanDerWaalsContact C-N 3.26Å; N47-Y49 PolarHBondContact O-N 2.82Å; Y49-A51 HydrophobicContact CE1-CB 3.99Å; Y49-I72 WeakPolarHBondContact CA-O 3.35Å; Y49-I72 HydrophobicContact CD2-CB 4.19Å; Y49-I72 HydrophobicContact CD2-CG2 3.82Å; Y49-I72 HydrophobicContact CE2-CG2 4.37Å; Y49-A74 HydrophobicContact CE2-CB 4.49Å; Y49-I84 HydrophobicContact CE2-CD1 4.38Å; Y49-R147 PolarHBondContact O-NE 3.22Å |
| 50 | H | 96.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -98 | 18.7 | -175.3 | -68.5 | -112.1 | 0 | 0 | 0 | 113.2 | Y48 R52 L53 I72 V145 G146 R147 E151 I226 | Y48-H50 PolarHBondContact O-CD2 3.04Å; H50-R52 PolarHBondContact O-N 2.86Å; H50-L53 HydrophobicContact CB-CB 3.66Å; H50-L53 HydrophobicContact CB-CD2 3.68Å; H50-L53 HydrophobicContact CB-CG 4.22Å; H50-L53 WeakPolarHBondContact O-CB 3.28Å; H50-L53 PolarHBondContact O-N 2.71Å; H50-L53 VanDerWaalsContact O-N 3.1Å; H50-I72 PolarHBondContact N-O 2.76Å; H50-V145 PolarHBondContact NE2-O 3.08Å; H50-V145 VanDerWaalsContact NE2-O 3.1Å; H50-G146 PolarHBondContact CE1-O 3.3Å; H50-G146 PolarHBondContact NE2-O 3.04Å; H50-R147 VanDerWaalsContact CE1-CA 3.44Å; H50-R147 WeakPolarHBondContact CE1-CA 3.3Å; H50-R147 PolarHBondContact CE1-N 2.75Å; H50-E151 WeakPolarHBondContact CB-OE2 3.49Å; H50-E151 IonicContact CE1-OE1 3.35Å; H50-E151 PolarHBondContact CE1-OE1 3.26Å; H50-E151 IonicContact CG-OE2 3.48Å; H50-E151 VanDerWaalsContact ND1-CD 3.26Å; H50-E151 IonicContact ND1-OE1 2.81Å; H50-E151 PolarHBondContact ND1-OE1 3.42Å; H50-E151 IonicContact ND1-OE2 2.91Å; H50-E151 PolarHBondContact ND1-OE2 3.12Å; H50-I226 WeakPolarHBondContact O-CD1 3.47Å | ||
| 51 | A | 94.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 7% | 0.066 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | -124.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y49 L53 R73 A74 I226 | Y49-A51 HydrophobicContact CE1-CB 3.99Å; A51-L53 PolarHBondContact O-N 3.38Å; A51-R73 CarbonylContact O-C 3.59Å; A51-R73 WeakPolarHBondContact O-CA 3.28Å; A51-A74 PolarHBondContact O-N 2.79Å; A51-I226 HydrophobicContact CB-CB 4.38Å; A51-I226 HydrophobicContact CB-CD1 4.02Å; A51-I226 HydrophobicContact CB-CG1 4.27Å; A51-I226 WeakPolarHBondContact CB-O 3.03Å |
| 52 | R | 92.6 | Very high | 92.6 | Very high | 16 Ų | 16 | 33 Ų | 33 | 6% | 0.06 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 23.5 | -174.2 | -54.3 | -71.8 | -70.8 | 124.7 | 7.7 | 114.5 | H50 S54 A74 K76 F82 E197 I226 D229 | H50-R52 PolarHBondContact O-N 2.86Å; R52-S54 PolarHBondContact O-N 3.44Å; R52-A74 PolarHBondContact NH1-O 3.24Å; R52-K76 VanDerWaalsContact NH1-N 3.15Å; R52-F82 VanDerWaalsContact NE-CE1 3.32Å; R52-E197 IonicContact NH2-OE1 3.85Å; R52-I226 WeakPolarHBondContact CB-O 3.17Å; R52-I226 VanDerWaalsContact CG-O 3.25Å; R52-I226 WeakPolarHBondContact CG-O 3.33Å; R52-I226 PolarHBondContact N-O 3.36Å; R52-D229 IonicContact CZ-OD1 3.28Å; R52-D229 VanDerWaalsContact CZ-OD1 3.28Å; R52-D229 IonicContact NE-OD1 3.03Å; R52-D229 PolarHBondContact NE-OD1 3.37Å; R52-D229 IonicContact NH2-OD1 2.7Å; R52-D229 PolarHBondContact NH2-OD1 3.15Å |
| 53 | L | 94.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | trans | -47.7 | 131.4 | 173.2 | -176.5 | 73.7 | 0 | 0 | 0 | 111.8 | H50 A51 D57 A58 I61 L71 R73 W150 | H50-L53 HydrophobicContact CB-CB 3.66Å; H50-L53 HydrophobicContact CB-CD2 3.68Å; H50-L53 HydrophobicContact CB-CG 4.22Å; H50-L53 WeakPolarHBondContact O-CB 3.28Å; H50-L53 PolarHBondContact O-N 2.71Å; H50-L53 VanDerWaalsContact O-N 3.1Å; A51-L53 PolarHBondContact O-N 3.38Å; L53-D57 HydrophobicContact CD1-CB 3.48Å; L53-D57 VanDerWaalsContact CD1-CB 3.48Å; L53-D57 HydrophobicContact CG-CB 4.1Å; L53-A58 HydrophobicContact CD2-CB 3.91Å; L53-I61 HydrophobicContact CD1-CD1 4.26Å; L53-I61 HydrophobicContact CD2-CD1 3.88Å; L53-L71 HydrophobicContact CD2-CD1 3.93Å; L53-L71 HydrophobicContact CD2-CD2 4.05Å; L53-R73 HydrophobicContact CB-CB 4.25Å; L53-R73 WeakPolarHBondContact O-CD 3.43Å; L53-W150 HydrophobicContact CD1-CH2 3.67Å; L53-W150 HydrophobicContact CD1-CZ3 3.96Å | ||
| 54 | S | 93.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | trans | -67.9 | 157.5 | 179.5 | 79.4 | 0 | 0 | 0 | 0 | 111.6 | R52 L56 D57 A58 R208 | R52-S54 PolarHBondContact O-N 3.44Å; S54-L56 PolarHBondContact O-N 2.91Å; S54-L56 PolarHBondContact OG-N 2.76Å; S54-D57 PolarHBondContact O-N 3.43Å; S54-D57 WeakPolarHBondContact OG-CB 3.23Å; S54-D57 VanDerWaalsContact OG-CG 3.25Å; S54-D57 PolarHBondContact OG-N 3.09Å; S54-D57 PolarHBondContact OG-OD2 2.85Å; S54-A58 WeakPolarHBondContact O-CB 3.16Å; S54-A58 PolarHBondContact O-N 3.44Å; S54-R208 PolarHBondContact OG-NH2 3.45Å | ||
| 55 | R | 94.2 | Very high | 93.1 | Very high | 146 Ų | 146 | 32 Ų | 32 | 55% | 0.551 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -59 | -39.4 | 173.3 | -175.7 | -178 | 175.2 | 171 | -2.8 | 111.6 | A58 N59 H96 | R55-A58 PolarHBondContact O-N 2.91Å; R55-N59 PolarHBondContact O-N 2.88Å; R55-H96 VanDerWaalsContact CG-NE2 3.33Å; R55-H96 WeakPolarHBondContact CG-NE2 3.47Å; R55-H96 PolarHBondContact NE-CD2 3.17Å; R55-H96 PolarHBondContact NE-NE2 3.13Å |
| 56 | L | 92.6 | Very high | 93.4 | Very high | 78 Ų | 78 | 33.1 Ų | 33.1 | 41% | 0.408 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -72.5 | -36.9 | -177.7 | -66.4 | -172 | 0 | 0 | 0 | 112 | S54 N59 D60 E201 R208 | S54-L56 PolarHBondContact O-N 2.91Å; S54-L56 PolarHBondContact OG-N 2.76Å; L56-N59 WeakPolarHBondContact O-CB 3.42Å; L56-N59 PolarHBondContact O-N 3.44Å; L56-D60 PolarHBondContact O-N 3.42Å; L56-E201 WeakPolarHBondContact CD1-OE1 3.21Å; L56-R208 VanDerWaalsContact CB-CZ 3.46Å |
| 57 | D | 94.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.6 | -39.2 | 173 | -67.4 | -56.5 | 0 | 0 | 0 | 112 | L53 S54 N59 D60 I61 W150 R208 R211 | L53-D57 HydrophobicContact CD1-CB 3.48Å; L53-D57 VanDerWaalsContact CD1-CB 3.48Å; L53-D57 HydrophobicContact CG-CB 4.1Å; S54-D57 PolarHBondContact O-N 3.43Å; S54-D57 WeakPolarHBondContact OG-CB 3.23Å; S54-D57 VanDerWaalsContact OG-CG 3.25Å; S54-D57 PolarHBondContact OG-N 3.09Å; S54-D57 PolarHBondContact OG-OD2 2.85Å; D57-N59 PolarHBondContact O-N 2.9Å; D57-D60 PolarHBondContact O-N 3.4Å; D57-I61 VanDerWaalsContact O-CG1 3.28Å; D57-I61 WeakPolarHBondContact O-CG1 3.21Å; D57-I61 PolarHBondContact O-N 3.1Å; D57-W150 HydrophobicContact CB-CH2 4.08Å; D57-R208 VanDerWaalsContact CG-NH2 3.29Å; D57-R208 IonicContact OD1-CZ 3.76Å; D57-R208 IonicContact OD1-NE 3.34Å; D57-R208 PolarHBondContact OD1-NE 3.16Å; D57-R208 IonicContact OD1-NH2 2.78Å; D57-R208 PolarHBondContact OD1-NH2 3.22Å; D57-R208 IonicContact OD2-CZ 3.37Å; D57-R208 IonicContact OD2-NE 3.48Å; D57-R208 IonicContact OD2-NH2 3.83Å; D57-R208 PolarHBondContact OD2-NH2 2.92Å; D57-R211 IonicContact OD1-CZ 3.26Å; D57-R211 IonicContact OD1-NH1 3.7Å; D57-R211 IonicContact OD1-NH2 3.64Å; D57-R211 PolarHBondContact OD1-NH2 3.14Å |
| 58 | A | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.2 | -37.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | L53 S54 R55 L62 L71 | L53-A58 HydrophobicContact CD2-CB 3.91Å; S54-A58 WeakPolarHBondContact O-CB 3.16Å; S54-A58 PolarHBondContact O-N 3.44Å; R55-A58 PolarHBondContact O-N 2.91Å; A58-L62 WeakPolarHBondContact O-CB 3.24Å; A58-L62 WeakPolarHBondContact O-CG 3.48Å; A58-L62 PolarHBondContact O-N 3.33Å; A58-L71 HydrophobicContact CB-CD1 4.14Å; A58-L71 HydrophobicContact CB-CD2 4.42Å |
| 59 | N | 95.7 | Very high | 93.7 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.6 | -50.1 | 172.7 | -73.7 | -15.5 | 0 | 0 | 0 | 111.8 | R55 L56 D57 I61 L62 L63 V94 H96 | R55-N59 PolarHBondContact O-N 2.88Å; L56-N59 WeakPolarHBondContact O-CB 3.42Å; L56-N59 PolarHBondContact O-N 3.44Å; D57-N59 PolarHBondContact O-N 2.9Å; N59-I61 VanDerWaalsContact C-N 3.26Å; N59-I61 PolarHBondContact O-N 2.72Å; N59-L62 PolarHBondContact O-N 3.4Å; N59-L63 HydrophobicContact CB-CD1 4.38Å; N59-L63 VanDerWaalsContact O-CB 3.27Å; N59-L63 WeakPolarHBondContact O-CB 3.08Å; N59-L63 WeakPolarHBondContact O-CG 3.44Å; N59-L63 PolarHBondContact O-N 2.78Å; N59-V94 VanDerWaalsContact OD1-CB 3.27Å; N59-V94 WeakPolarHBondContact OD1-CB 3.38Å; N59-V94 VanDerWaalsContact OD1-CG1 3.31Å; N59-V94 WeakPolarHBondContact OD1-CG1 3.34Å; N59-H96 PolarHBondContact OD1-CE1 2.87Å; N59-H96 PolarHBondContact OD1-NE2 2.81Å |
| 60 | D | 91.5 | Very high | 93.8 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 33% | 0.332 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.3 | -38.4 | -179.6 | -87.9 | 16.3 | 0 | 0 | 0 | 111.6 | L56 D57 R208 K212 | L56-D60 PolarHBondContact O-N 3.42Å; D57-D60 PolarHBondContact O-N 3.4Å; D60-R208 VanDerWaalsContact OD2-CD 3.27Å; D60-R208 WeakPolarHBondContact OD2-CD 3.43Å; D60-R208 WeakPolarHBondContact OD2-CG 3.25Å; D60-K212 IonicContact OD2-NZ 2.75Å; D60-K212 PolarHBondContact OD2-NZ 3.37Å |
| 61 | I | 95.1 | Very high | 93.9 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -48.9 | 174.6 | -68.1 | 165.3 | 0 | 0 | 0 | 111.3 | L53 D57 N59 L71 V145 Q148 W150 | L53-I61 HydrophobicContact CD1-CD1 4.26Å; L53-I61 HydrophobicContact CD2-CD1 3.88Å; D57-I61 VanDerWaalsContact O-CG1 3.28Å; D57-I61 WeakPolarHBondContact O-CG1 3.21Å; D57-I61 PolarHBondContact O-N 3.1Å; N59-I61 VanDerWaalsContact C-N 3.26Å; N59-I61 PolarHBondContact O-N 2.72Å; I61-L71 HydrophobicContact CB-CD2 4.4Å; I61-L71 HydrophobicContact CD1-CD2 4.32Å; I61-L71 HydrophobicContact CG2-CD2 4.01Å; I61-V145 HydrophobicContact CG2-CG1 3.7Å; I61-Q148 HydrophobicContact CD1-CG 3.55Å; I61-Q148 HydrophobicContact CG1-CG 3.83Å; I61-W150 HydrophobicContact CD1-CH2 3.92Å; I61-W150 HydrophobicContact CD1-CZ2 3.85Å; I61-W150 HydrophobicContact CG1-CZ2 4.05Å |
| 62 | L | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -85.5 | -23.4 | -169.8 | -69.3 | 173.6 | 0 | 0 | 0 | 114.1 | A58 N59 G64 A65 L71 S87 R89 V94 V145 | A58-L62 WeakPolarHBondContact O-CB 3.24Å; A58-L62 WeakPolarHBondContact O-CG 3.48Å; A58-L62 PolarHBondContact O-N 3.33Å; N59-L62 PolarHBondContact O-N 3.4Å; L62-G64 PolarHBondContact O-N 2.96Å; L62-A65 WeakPolarHBondContact O-CB 3.47Å; L62-A65 PolarHBondContact O-N 2.8Å; L62-L71 HydrophobicContact CD1-CD2 4.21Å; L62-L71 HydrophobicContact CD1-CG 4.15Å; L62-L71 HydrophobicContact CD2-CD2 4.37Å; L62-L71 HydrophobicContact CG-CD2 4.09Å; L62-L71 HydrophobicContact CG-CG 4.49Å; L62-S87 VanDerWaalsContact CD1-C 3.5Å; L62-S87 WeakPolarHBondContact CD1-O 3.39Å; L62-R89 WeakPolarHBondContact O-CD 3.23Å; L62-V94 HydrophobicContact CB-CG1 4.09Å; L62-V94 HydrophobicContact CB-CG2 3.69Å; L62-V94 HydrophobicContact CD1-CG1 3.66Å; L62-V145 HydrophobicContact CD2-CB 4.49Å; L62-V145 HydrophobicContact CD2-CG2 3.86Å |
| 63 | L | 91.5 | Very high | 94.2 | Very high | 85 Ų | 85 | 36 Ų | 36 | 45% | 0.445 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.6 | -30.3 | -179.1 | -83.8 | 167.9 | 0 | 0 | 0 | 112.8 | N59 V94 | N59-L63 HydrophobicContact CB-CD1 4.38Å; N59-L63 VanDerWaalsContact O-CB 3.27Å; N59-L63 WeakPolarHBondContact O-CB 3.08Å; N59-L63 WeakPolarHBondContact O-CG 3.44Å; N59-L63 PolarHBondContact O-N 2.78Å; L63-V94 HydrophobicContact CD2-CG2 4.24Å; L63-V94 HydrophobicContact CG-CG2 4.1Å |
| 64 | G | 84.9 | Confident | 94.2 | Very high | 78 Ų | 78 | 36 Ų | 36 | 80% | 0.804 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L62 | L62-G64 PolarHBondContact O-N 2.96Š|
| 65 | A | 93.6 | Very high | 94.1 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -91.3 | 158.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L62 Y69 R89 | L62-A65 WeakPolarHBondContact O-CB 3.47Å; L62-A65 PolarHBondContact O-N 2.8Å; A65-Y69 HydrophobicContact CB-CD1 3.96Å; A65-Y69 HydrophobicContact CB-CG 4.04Å; A65-R89 WeakPolarHBondContact O-CG 3.31Å |
| 66 | P | 94.2 | Very high | 93.7 | Very high | 71 Ų | 71 | 32.5 Ų | 32.5 | 46% | 0.461 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -64.2 | 158.3 | 169.8 | -21.4 | 33.3 | 0 | 0 | 0 | 113.2 | Y69 R89 | P66-Y69 HydrophobicContact CB-CD2 3.78Å; P66-Y69 HydrophobicContact CB-CE2 3.68Å; P66-Y69 HydrophobicContact CG-CD2 4.07Å; P66-Y69 HydrophobicContact CG-CE1 4.3Å; P66-Y69 HydrophobicContact CG-CE2 3.67Å; P66-Y69 VanDerWaalsContact O-CB 3.29Å; P66-Y69 WeakPolarHBondContact O-CB 3.32Å; P66-Y69 WeakPolarHBondContact O-CD2 3.26Å; P66-Y69 PolarHBondContact O-N 2.82Å; P66-R89 WeakPolarHBondContact O-CB 3.31Å; P66-R89 WeakPolarHBondContact O-CG 3.36Å |
| 67 | V | 92.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 33.4 Ų | 33.4 | 42% | 0.424 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 139.2 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | Y69 T91 | V67-Y69 VanDerWaalsContact C-N 3.26Å; V67-Y69 PolarHBondContact O-N 2.93Å; V67-T91 HydrophobicContact CG1-CG2 4.37Å; V67-T91 HydrophobicContact CG2-CG2 4.23Å |
| 68 | G | 91.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -0.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | R89 F140 I142 | G68-R89 PolarHBondContact N-O 3.27Å; G68-F140 WeakPolarHBondContact CA-O 3.22Å; G68-I142 PolarHBondContact O-N 2.7Å |
| 69 | Y | 96.4 | Very high | 91.1 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 137.6 | 168.3 | -81.3 | -133.3 | 0 | 0 | 0 | 109.8 | A65 P66 V67 I88 R89 I142 K143 V145 | A65-Y69 HydrophobicContact CB-CD1 3.96Å; A65-Y69 HydrophobicContact CB-CG 4.04Å; P66-Y69 HydrophobicContact CB-CD2 3.78Å; P66-Y69 HydrophobicContact CB-CE2 3.68Å; P66-Y69 HydrophobicContact CG-CD2 4.07Å; P66-Y69 HydrophobicContact CG-CE1 4.3Å; P66-Y69 HydrophobicContact CG-CE2 3.67Å; P66-Y69 VanDerWaalsContact O-CB 3.29Å; P66-Y69 WeakPolarHBondContact O-CB 3.32Å; P66-Y69 WeakPolarHBondContact O-CD2 3.26Å; P66-Y69 PolarHBondContact O-N 2.82Å; V67-Y69 VanDerWaalsContact C-N 3.26Å; V67-Y69 PolarHBondContact O-N 2.93Å; Y69-I88 CarbonylContact O-C 3.54Å; Y69-I88 WeakPolarHBondContact O-CA 2.85Å; Y69-R89 PolarHBondContact O-N 2.84Å; Y69-I142 HydrophobicContact CD2-CG2 4.37Å; Y69-I142 HydrophobicContact CE2-CG2 4.11Å; Y69-K143 CarbonylContact C-O 3.58Å; Y69-K143 VanDerWaalsContact CA-O 3.23Å; Y69-K143 WeakPolarHBondContact CA-O 3.22Å; Y69-K143 HydrophobicContact CD1-CB 4.22Å; Y69-K143 HydrophobicContact CD2-CB 4.01Å; Y69-K143 HydrophobicContact CE1-CB 4.06Å; Y69-K143 HydrophobicContact CE1-CD 3.8Å; Y69-K143 HydrophobicContact CE1-CG 4.25Å; Y69-K143 HydrophobicContact CE2-CB 3.8Å; Y69-K143 HydrophobicContact CG-CB 4.21Å; Y69-V145 HydrophobicContact CD1-CG2 3.94Å |
| 70 | F | 97.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 163.9 | -169.2 | 72.6 | -88.3 | 0 | 0 | 0 | 113.5 | M10 L86 S87 I88 L121 L141 K143 S144 V145 | M10-F70 HydrophobicContact CE-CE1 3.68Å; M10-F70 HydrophobicContact CE-CZ 3.45Å; M10-F70 VanDerWaalsContact CE-CZ 3.45Å; F70-L86 HydrophobicContact CB-CD1 3.72Å; F70-L86 HydrophobicContact CD2-CD1 3.38Å; F70-L86 HydrophobicContact CE2-CD1 4.26Å; F70-L86 HydrophobicContact CG-CD1 3.82Å; F70-S87 CarbonylContact C-O 3.55Å; F70-S87 WeakPolarHBondContact CA-O 3.43Å; F70-S87 WeakPolarHBondContact CB-O 3.45Å; F70-I88 HydrophobicContact CB-CB 3.77Å; F70-I88 HydrophobicContact CB-CD1 4.05Å; F70-I88 HydrophobicContact CB-CG1 3.88Å; F70-L121 HydrophobicContact CE2-CD1 4.18Å; F70-L121 HydrophobicContact CE2-CD2 4.35Å; F70-L141 HydrophobicContact CD1-CB 4.22Å; F70-L141 HydrophobicContact CD1-CD2 3.75Å; F70-L141 HydrophobicContact CD2-CD2 4.32Å; F70-L141 HydrophobicContact CE1-CB 3.85Å; F70-L141 HydrophobicContact CE1-CD2 3.96Å; F70-L141 HydrophobicContact CE1-CG 4.34Å; F70-L141 HydrophobicContact CG-CD2 3.94Å; F70-L141 HydrophobicContact CZ-CD1 4.48Å; F70-L141 HydrophobicContact CZ-CD2 4.33Å; F70-K143 VanDerWaalsContact CD1-O 3.26Å; F70-K143 WeakPolarHBondContact CD1-O 3.43Å; F70-K143 PolarHBondContact N-O 2.76Å; F70-S144 CarbonylContact O-C 3.57Å; F70-S144 VanDerWaalsContact O-CA 3.31Å; F70-S144 WeakPolarHBondContact O-CA 3.42Å; F70-V145 PolarHBondContact O-N 3.03Å |
| 71 | L | 98 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 160.4 | 171.4 | 62.6 | 82.3 | 0 | 0 | 0 | 110.5 | L53 A58 I61 L62 R73 S87 | L53-L71 HydrophobicContact CD2-CD1 3.93Å; L53-L71 HydrophobicContact CD2-CD2 4.05Å; A58-L71 HydrophobicContact CB-CD1 4.14Å; A58-L71 HydrophobicContact CB-CD2 4.42Å; I61-L71 HydrophobicContact CB-CD2 4.4Å; I61-L71 HydrophobicContact CD1-CD2 4.32Å; I61-L71 HydrophobicContact CG2-CD2 4.01Å; L62-L71 HydrophobicContact CD1-CD2 4.21Å; L62-L71 HydrophobicContact CD1-CG 4.15Å; L62-L71 HydrophobicContact CD2-CD2 4.37Å; L62-L71 HydrophobicContact CG-CD2 4.09Å; L62-L71 HydrophobicContact CG-CG 4.49Å; L71-R73 HydrophobicContact CD1-CB 4.28Å; L71-R73 HydrophobicContact CD1-CG 4.41Å; L71-S87 PolarHBondContact N-O 3.26Å; L71-S87 PolarHBondContact O-N 3.41Å |
| 72 | I | 98 | Very high | 89 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.5 | 174.8 | -53.3 | -57.7 | 0 | 0 | 0 | 109.5 | L43 Y48 Y49 H50 I84 V85 L86 I99 L121 | L43-I72 HydrophobicContact CD2-CG2 4.34Å; Y48-I72 HydrophobicContact CD2-CB 4.13Å; Y48-I72 HydrophobicContact CD2-CG1 3.65Å; Y48-I72 HydrophobicContact CE2-CB 4.48Å; Y48-I72 HydrophobicContact CE2-CG1 3.86Å; Y48-I72 PolarHBondContact O-N 2.81Å; Y49-I72 WeakPolarHBondContact CA-O 3.35Å; Y49-I72 HydrophobicContact CD2-CB 4.19Å; Y49-I72 HydrophobicContact CD2-CG2 3.82Å; Y49-I72 HydrophobicContact CE2-CG2 4.37Å; H50-I72 PolarHBondContact N-O 2.76Å; I72-I84 HydrophobicContact CG2-CG2 3.4Å; I72-V85 WeakPolarHBondContact CA-O 3.48Å; I72-L86 HydrophobicContact CD1-CB 3.93Å; I72-L86 HydrophobicContact CD1-CD1 3.55Å; I72-L86 HydrophobicContact CD1-CG 4.35Å; I72-I99 HydrophobicContact CD1-CD1 4.29Å; I72-L121 HydrophobicContact CD1-CD1 3.79Å; I72-L121 HydrophobicContact CD1-CD2 4.26Å; I72-L121 HydrophobicContact CG1-CD1 3.8Å |
| 73 | R | 96.5 | Very high | 88.8 | Confident | 11 Ų | 11 | 54.8 Ų | 54.8 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 157.7 | 175.8 | 65.8 | -174.9 | -171.8 | 75.9 | 6.1 | 110.8 | A51 L53 L71 V85 S87 | A51-R73 CarbonylContact O-C 3.59Å; A51-R73 WeakPolarHBondContact O-CA 3.28Å; L53-R73 HydrophobicContact CB-CB 4.25Å; L53-R73 WeakPolarHBondContact O-CD 3.43Å; L71-R73 HydrophobicContact CD1-CB 4.28Å; L71-R73 HydrophobicContact CD1-CG 4.41Å; R73-V85 HydrophobicContact CG-CB 4.05Å; R73-V85 HydrophobicContact CG-CG1 4.47Å; R73-V85 PolarHBondContact N-O 3.28Å; R73-V85 PolarHBondContact O-N 3.08Å; R73-S87 PolarHBondContact NE-OG 3.03Å; R73-S87 VanDerWaalsContact NE-OG 3.15Å |
| 74 | A | 94.2 | Very high | 89 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y49 A51 R52 A83 | Y49-A74 HydrophobicContact CE2-CB 4.49Å; A51-A74 PolarHBondContact O-N 2.79Å; R52-A74 PolarHBondContact NH1-O 3.24Å; A74-A83 CarbonylContact C-O 3.58Å; A74-A83 WeakPolarHBondContact CA-O 3.13Å |
| 75 | S | 90.5 | Very high | 89.6 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 136.8 | 175 | -163.5 | 0 | 0 | 0 | 0 | 110.2 | F82 A83 | S75-F82 CarbonylContact O-C 3.57Å; S75-F82 WeakPolarHBondContact O-CA 3.47Å; S75-A83 PolarHBondContact N-O 2.74Å; S75-A83 PolarHBondContact O-N 2.95Å |
| 76 | K | 85.7 | Confident | 89.7 | Confident | 37 Ų | 37 | 48 Ų | 48 | 16% | 0.161 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 135.2 | 178.4 | -158.2 | 169.8 | -178.3 | 165.9 | 0 | 108.9 | R52 N80 F82 E197 D229 | R52-K76 VanDerWaalsContact NH1-N 3.15Å; K76-N80 WeakPolarHBondContact CE-OD1 3.26Å; K76-F82 HydrophobicContact CB-CD1 4.21Å; K76-F82 HydrophobicContact CB-CE1 3.98Å; K76-F82 HydrophobicContact CD-CE1 4.36Å; K76-F82 HydrophobicContact CG-CD1 4.34Å; K76-F82 HydrophobicContact CG-CE1 3.83Å; K76-E197 HydrophobicContact CD-CG 4.24Å; K76-E197 WeakPolarHBondContact CD-OE1 3.33Å; K76-E197 IonicContact NZ-OE1 3.45Å; K76-E197 PolarHBondContact NZ-OE1 3.22Å; K76-D229 WeakPolarHBondContact CE-OD2 3.35Å; K76-D229 IonicContact NZ-OD2 3.37Å; K76-D229 PolarHBondContact NZ-OD2 3.1Å |
| 77 | R | 81.5 | Confident | 89.9 | Confident | 97 Ų | 97 | 44.6 Ų | 44.6 | 37% | 0.366 | 22% | 0.224 | S | C | . | . | trans | -100.6 | 175.8 | 169.2 | -60.1 | -173.8 | -175.3 | -168.5 | 5.1 | 109 | T81 A83 | R77-T81 WeakPolarHBondContact CB-O 3.22Å; R77-T81 WeakPolarHBondContact CB-OG1 3.46Å; R77-T81 PolarHBondContact N-O 3.25Å; R77-A83 HydrophobicContact CG-CB 3.91Å | ||
| 78 | T | 75.9 | Confident | 90.1 | Very high | 119 Ų | 119 | 41.2 Ų | 41.2 | 73% | 0.73 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -54.2 | 148.6 | 164.3 | 56.1 | 0 | 0 | 0 | 0 | 111 | T81 | T78-T81 PolarHBondContact O-OG1 3.17Š|
| 79 | K | 71.6 | Confident | 90.3 | Very high | 193 Ų | 193 | 43.2 Ų | 43.2 | 84% | 0.839 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | 67.3 | 31.5 | 178.1 | -48.8 | 177.9 | 177.3 | 179.4 | 0 | 115.6 | T81 | K79-T81 PolarHBondContact O-N 2.82Å; K79-T81 VanDerWaalsContact O-N 3.1Å |
| 80 | N | 70.1 | Confident | 90.1 | Very high | 89 Ų | 89 | 40.5 Ų | 40.5 | 48% | 0.476 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | 56.9 | 25.5 | 177.3 | -70 | -4.4 | 0 | 0 | 0 | 114.9 | K76 E195 | K76-N80 WeakPolarHBondContact CE-OD1 3.26Å; N80-E195 PolarHBondContact ND2-OE1 3.06Å |
| 81 | T | 82.4 | Confident | 89.7 | Confident | 73 Ų | 73 | 44.2 Ų | 44.2 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | trans | -94.8 | 159.1 | 170.2 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | R77 T78 K79 | R77-T81 WeakPolarHBondContact CB-O 3.22Å; R77-T81 WeakPolarHBondContact CB-OG1 3.46Å; R77-T81 PolarHBondContact N-O 3.25Å; T78-T81 PolarHBondContact O-OG1 3.17Å; K79-T81 PolarHBondContact O-N 2.82Å; K79-T81 VanDerWaalsContact O-N 3.1Å | ||
| 82 | F | 85.7 | Confident | 89.3 | Confident | 100 Ų | 100 | 51.2 Ų | 51.2 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.1 | 179 | -61.3 | -72.6 | 0 | 0 | 0 | 111.8 | R52 S75 K76 | R52-F82 VanDerWaalsContact NE-CE1 3.32Å; S75-F82 CarbonylContact O-C 3.57Å; S75-F82 WeakPolarHBondContact O-CA 3.47Å; K76-F82 HydrophobicContact CB-CD1 4.21Å; K76-F82 HydrophobicContact CB-CE1 3.98Å; K76-F82 HydrophobicContact CD-CE1 4.36Å; K76-F82 HydrophobicContact CG-CD1 4.34Å; K76-F82 HydrophobicContact CG-CE1 3.83Å |
| 83 | A | 92.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 135.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | A74 S75 R77 V85 Q98 | A74-A83 CarbonylContact C-O 3.58Å; A74-A83 WeakPolarHBondContact CA-O 3.13Å; S75-A83 PolarHBondContact N-O 2.74Å; S75-A83 PolarHBondContact O-N 2.95Å; R77-A83 HydrophobicContact CG-CB 3.91Å; A83-V85 HydrophobicContact CB-CG2 4.13Å; A83-Q98 HydrophobicContact CB-CG 3.66Å |
| 84 | I | 95.7 | Very high | 89 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 130 | 159.3 | -55.8 | -54.5 | 0 | 0 | 0 | 108.1 | L43 Y49 I72 I99 F107 V117 | L43-I84 HydrophobicContact CD2-CD1 3.83Å; L43-I84 HydrophobicContact CD2-CG1 4.3Å; L43-I84 HydrophobicContact CD2-CG2 4.23Å; Y49-I84 HydrophobicContact CE2-CD1 4.38Å; I72-I84 HydrophobicContact CG2-CG2 3.4Å; I84-I99 HydrophobicContact CG2-CD1 3.92Å; I84-I99 HydrophobicContact CG2-CG1 4.37Å; I84-I99 PolarHBondContact O-N 3.26Å; I84-F107 HydrophobicContact CG1-CE1 4.3Å; I84-V117 HydrophobicContact CG2-CG1 4.48Å; I84-V117 HydrophobicContact CG2-CG2 4.15Å |
| 85 | V | 97.4 | Very high | 89 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.8 | -175.5 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | I72 R73 A83 H96 Y97 | I72-V85 WeakPolarHBondContact CA-O 3.48Å; R73-V85 HydrophobicContact CG-CB 4.05Å; R73-V85 HydrophobicContact CG-CG1 4.47Å; R73-V85 PolarHBondContact N-O 3.28Å; R73-V85 PolarHBondContact O-N 3.08Å; A83-V85 HydrophobicContact CB-CG2 4.13Å; V85-H96 HydrophobicContact CG1-CB 3.9Å; V85-Y97 CarbonylContact C-O 3.54Å; V85-Y97 VanDerWaalsContact CA-O 3.23Å; V85-Y97 WeakPolarHBondContact CA-O 3.48Å |
| 86 | L | 97.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 116.4 | 164.5 | 172 | 66.6 | 0 | 0 | 0 | 109.1 | F70 I72 H96 Y97 I99 F109 L121 I131 L141 | F70-L86 HydrophobicContact CB-CD1 3.72Å; F70-L86 HydrophobicContact CD2-CD1 3.38Å; F70-L86 HydrophobicContact CE2-CD1 4.26Å; F70-L86 HydrophobicContact CG-CD1 3.82Å; I72-L86 HydrophobicContact CD1-CB 3.93Å; I72-L86 HydrophobicContact CD1-CD1 3.55Å; I72-L86 HydrophobicContact CD1-CG 4.35Å; L86-H96 CarbonylContact O-C 3.55Å; L86-H96 WeakPolarHBondContact O-CA 3.32Å; L86-Y97 PolarHBondContact N-O 2.74Å; L86-Y97 PolarHBondContact O-N 2.99Å; L86-I99 HydrophobicContact CB-CD1 4.28Å; L86-I99 HydrophobicContact CB-CG1 4.25Å; L86-F109 HydrophobicContact CB-CZ 4.27Å; L86-F109 HydrophobicContact CD2-CE2 3.99Å; L86-F109 HydrophobicContact CD2-CZ 3.63Å; L86-L121 HydrophobicContact CD1-CD2 4.4Å; L86-I131 HydrophobicContact CD2-CD1 3.35Å; L86-L141 HydrophobicContact CD1-CD2 4.25Å; L86-L141 HydrophobicContact CD2-CD2 4.04Å |
| 87 | S | 98 | Very high | 89.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.5 | 169.2 | -55.8 | 0 | 0 | 0 | 0 | 108.8 | L62 F70 L71 R73 S95 H96 | L62-S87 VanDerWaalsContact CD1-C 3.5Å; L62-S87 WeakPolarHBondContact CD1-O 3.39Å; F70-S87 CarbonylContact C-O 3.55Å; F70-S87 WeakPolarHBondContact CA-O 3.43Å; F70-S87 WeakPolarHBondContact CB-O 3.45Å; L71-S87 PolarHBondContact N-O 3.26Å; L71-S87 PolarHBondContact O-N 3.41Å; R73-S87 PolarHBondContact NE-OG 3.03Å; R73-S87 VanDerWaalsContact NE-OG 3.15Å; S87-S95 CarbonylContact C-O 3.52Å; S87-S95 WeakPolarHBondContact CA-O 3.29Å; S87-H96 PolarHBondContact OG-ND1 3Å |
| 88 | I | 96.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 138.3 | -171.1 | -179.8 | 160.1 | 0 | 0 | 0 | 111.2 | Y69 F70 T90 V94 S95 Y97 I131 L139 L141 | Y69-I88 CarbonylContact O-C 3.54Å; Y69-I88 WeakPolarHBondContact O-CA 2.85Å; F70-I88 HydrophobicContact CB-CB 3.77Å; F70-I88 HydrophobicContact CB-CD1 4.05Å; F70-I88 HydrophobicContact CB-CG1 3.88Å; I88-T90 PolarHBondContact O-N 2.85Å; I88-V94 WeakPolarHBondContact O-CA 3.35Å; I88-S95 PolarHBondContact N-O 3.2Å; I88-S95 PolarHBondContact O-N 3.01Å; I88-Y97 HydrophobicContact CG2-CD2 3.96Å; I88-Y97 HydrophobicContact CG2-CE2 3.58Å; I88-I131 HydrophobicContact CD1-CD1 4.01Å; I88-I131 HydrophobicContact CG2-CD1 4.47Å; I88-L139 HydrophobicContact CD1-CD1 4.01Å; I88-L139 HydrophobicContact CD1-CD2 4.12Å; I88-L139 HydrophobicContact CD1-CG 3.95Å; I88-L139 HydrophobicContact CG1-CD1 4.29Å; I88-L139 HydrophobicContact CG1-CD2 4.39Å; I88-L139 HydrophobicContact CG2-CD2 3.75Å; I88-L141 HydrophobicContact CD1-CD2 3.88Å |
| 89 | R | 95.3 | Very high | 91.2 | Very high | 43 Ų | 43 | 49.5 Ų | 49.5 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 122.3 | 174.1 | 177.8 | 64.9 | -178.8 | 158 | 2.7 | 110 | L62 A65 P66 G68 Y69 S93 | L62-R89 WeakPolarHBondContact O-CD 3.23Å; A65-R89 WeakPolarHBondContact O-CG 3.31Å; P66-R89 WeakPolarHBondContact O-CB 3.31Å; P66-R89 WeakPolarHBondContact O-CG 3.36Å; G68-R89 PolarHBondContact N-O 3.27Å; Y69-R89 PolarHBondContact O-N 2.84Å; R89-S93 WeakPolarHBondContact CD-O 3.33Å; R89-S93 PolarHBondContact NH1-O 2.83Å |
| 90 | T | 92.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | trans | -104.4 | 177.6 | 171.3 | 67.6 | 0 | 0 | 0 | 0 | 110.3 | I88 K92 S93 S95 L139 | I88-T90 PolarHBondContact O-N 2.85Å; T90-K92 VanDerWaalsContact C-N 3.28Å; T90-K92 PolarHBondContact O-N 2.97Å; T90-S93 PolarHBondContact N-O 3.32Å; T90-S93 PolarHBondContact OG1-N 3.08Å; T90-S93 VanDerWaalsContact OG1-N 3.14Å; T90-S93 PolarHBondContact OG1-O 3.1Å; T90-S93 VanDerWaalsContact OG1-O 3.09Å; T90-S93 PolarHBondContact OG1-OG 2.99Å; T90-S95 VanDerWaalsContact CG2-OG 3.28Å; T90-S95 WeakPolarHBondContact CG2-OG 3.42Å; T90-L139 HydrophobicContact CG2-CD1 4.22Å; T90-L139 HydrophobicContact CG2-CD2 4.07Å | ||
| 91 | T | 89.2 | Confident | 93.3 | Very high | 80 Ų | 80 | 41.5 Ų | 41.5 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -59.6 | -38 | 178.7 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | V67 | V67-T91 HydrophobicContact CG1-CG2 4.37Å; V67-T91 HydrophobicContact CG2-CG2 4.23Å |
| 92 | K | 89.1 | Confident | 93.9 | Very high | 146 Ų | 146 | 40.4 Ų | 40.4 | 64% | 0.635 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -100.4 | -31.7 | -176.3 | -62.6 | -178.8 | -171.3 | 165.1 | 0 | 113.6 | T90 D135 | T90-K92 VanDerWaalsContact C-N 3.28Å; T90-K92 PolarHBondContact O-N 2.97Å; K92-D135 VanDerWaalsContact NZ-CG 3.29Å; K92-D135 IonicContact NZ-OD1 2.78Å; K92-D135 PolarHBondContact NZ-OD1 3.15Å; K92-D135 IonicContact NZ-OD2 3.7Å |
| 93 | S | 92.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 37% | 0.371 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -156.3 | -159.2 | -166 | 67.5 | 0 | 0 | 0 | 0 | 112 | R89 T90 | R89-S93 WeakPolarHBondContact CD-O 3.33Å; R89-S93 PolarHBondContact NH1-O 2.83Å; T90-S93 PolarHBondContact N-O 3.32Å; T90-S93 PolarHBondContact OG1-N 3.08Å; T90-S93 VanDerWaalsContact OG1-N 3.14Å; T90-S93 PolarHBondContact OG1-O 3.1Å; T90-S93 VanDerWaalsContact OG1-O 3.09Å; T90-S93 PolarHBondContact OG1-OG 2.99Å |
| 94 | V | 95.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.5 | 167.9 | 176.3 | 0 | 0 | 0 | 0 | 106.4 | N59 L62 L63 I88 | N59-V94 VanDerWaalsContact OD1-CB 3.27Å; N59-V94 WeakPolarHBondContact OD1-CB 3.38Å; N59-V94 VanDerWaalsContact OD1-CG1 3.31Å; N59-V94 WeakPolarHBondContact OD1-CG1 3.34Å; L62-V94 HydrophobicContact CB-CG1 4.09Å; L62-V94 HydrophobicContact CB-CG2 3.69Å; L62-V94 HydrophobicContact CD1-CG1 3.66Å; L63-V94 HydrophobicContact CD2-CG2 4.24Å; L63-V94 HydrophobicContact CG-CG2 4.1Å; I88-V94 WeakPolarHBondContact O-CA 3.35Å |
| 95 | S | 94.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 149.4 | 177.2 | -70.9 | 0 | 0 | 0 | 0 | 110.2 | S87 I88 T90 | S87-S95 CarbonylContact C-O 3.52Å; S87-S95 WeakPolarHBondContact CA-O 3.29Å; I88-S95 PolarHBondContact N-O 3.2Å; I88-S95 PolarHBondContact O-N 3.01Å; T90-S95 VanDerWaalsContact CG2-OG 3.28Å; T90-S95 WeakPolarHBondContact CG2-OG 3.42Å |
| 96 | H | 95.1 | Very high | 94.1 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 118.3 | 178.2 | -45.3 | -87.8 | 0 | 0 | 0 | 110.1 | R55 N59 V85 L86 S87 | R55-H96 VanDerWaalsContact CG-NE2 3.33Å; R55-H96 WeakPolarHBondContact CG-NE2 3.47Å; R55-H96 PolarHBondContact NE-CD2 3.17Å; R55-H96 PolarHBondContact NE-NE2 3.13Å; N59-H96 PolarHBondContact OD1-CE1 2.87Å; N59-H96 PolarHBondContact OD1-NE2 2.81Å; V85-H96 HydrophobicContact CG1-CB 3.9Å; L86-H96 CarbonylContact O-C 3.55Å; L86-H96 WeakPolarHBondContact O-CA 3.32Å; S87-H96 PolarHBondContact OG-ND1 3Å |
| 97 | Y | 93.7 | Very high | 94 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.4 | -178.8 | -58.5 | -90.5 | 0 | 0 | 0 | 109.4 | V85 L86 I88 I99 I131 S132 I134 L139 | V85-Y97 CarbonylContact C-O 3.54Å; V85-Y97 VanDerWaalsContact CA-O 3.23Å; V85-Y97 WeakPolarHBondContact CA-O 3.48Å; L86-Y97 PolarHBondContact N-O 2.74Å; L86-Y97 PolarHBondContact O-N 2.99Å; I88-Y97 HydrophobicContact CG2-CD2 3.96Å; I88-Y97 HydrophobicContact CG2-CE2 3.58Å; Y97-I99 PolarHBondContact O-N 3.47Å; Y97-I131 HydrophobicContact CE2-CD1 4.44Å; Y97-S132 WeakPolarHBondContact OH-CB 3.28Å; Y97-S132 PolarHBondContact OH-OG 2.95Å; Y97-I134 HydrophobicContact CE1-CD1 4.2Å; Y97-I134 WeakPolarHBondContact OH-CD1 3.39Å; Y97-I134 WeakPolarHBondContact OH-CG1 3.44Å; Y97-L139 HydrophobicContact CE2-CD2 3.9Å; Y97-L139 VanDerWaalsContact OH-CD2 3.31Å; Y97-L139 WeakPolarHBondContact OH-CD2 3.43Å |
| 98 | Q | 94.6 | Very high | 93.9 | Very high | 100 Ų | 100 | 56.4 Ų | 56.4 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 116.9 | 164.1 | 177 | 174.2 | -66.6 | 0 | 0 | 107.9 | A83 P100 | A83-Q98 HydrophobicContact CB-CG 3.66Å; Q98-P100 VanDerWaalsContact O-CD 3.28Å; Q98-P100 WeakPolarHBondContact O-CD 3.39Å |
| 99 | I | 95.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 116.6 | 177.8 | -51.7 | -172.1 | 0 | 0 | 0 | 107.1 | I72 I84 L86 Y97 F107 F109 V117 L120 | I72-I99 HydrophobicContact CD1-CD1 4.29Å; I84-I99 HydrophobicContact CG2-CD1 3.92Å; I84-I99 HydrophobicContact CG2-CG1 4.37Å; I84-I99 PolarHBondContact O-N 3.26Å; L86-I99 HydrophobicContact CB-CD1 4.28Å; L86-I99 HydrophobicContact CB-CG1 4.25Å; Y97-I99 PolarHBondContact O-N 3.47Å; I99-F107 HydrophobicContact CG2-CB 3.95Å; I99-F107 HydrophobicContact CG2-CD1 3.99Å; I99-F107 HydrophobicContact CG2-CG 4.44Å; I99-F109 HydrophobicContact CD1-CE2 4.44Å; I99-F109 HydrophobicContact CD1-CZ 4.14Å; I99-F109 HydrophobicContact CG1-CE1 4.41Å; I99-F109 HydrophobicContact CG1-CZ 3.81Å; I99-F109 HydrophobicContact CG2-CZ 4.36Å; I99-V117 HydrophobicContact CD1-CG1 3.94Å; I99-L120 HydrophobicContact CG2-CD2 3.72Å |
| 100 | P | 94.2 | Very high | 93.6 | Very high | 42 Ų | 42 | 58.8 Ų | 58.8 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 156.7 | 178.9 | 33.8 | -37.1 | 0 | 0 | 0 | 110.4 | Q98 F107 F108 | Q98-P100 VanDerWaalsContact O-CD 3.28Å; Q98-P100 WeakPolarHBondContact O-CD 3.39Å; P100-F107 WeakPolarHBondContact O-CA 3.36Å; P100-F108 HydrophobicContact CB-CD1 4.14Å; P100-F108 HydrophobicContact CB-CE1 3.5Å; P100-F108 HydrophobicContact CB-CE2 4.15Å; P100-F108 HydrophobicContact CB-CZ 3.51Å; P100-F108 VanDerWaalsContact CD-O 3.23Å; P100-F108 WeakPolarHBondContact CD-O 3.44Å; P100-F108 HydrophobicContact CG-CD1 3.88Å; P100-F108 HydrophobicContact CG-CD2 3.84Å; P100-F108 HydrophobicContact CG-CE1 3.63Å; P100-F108 HydrophobicContact CG-CE2 3.58Å; P100-F108 HydrophobicContact CG-CG 3.99Å; P100-F108 HydrophobicContact CG-CZ 3.48Å; P100-F108 VanDerWaalsContact CG-CZ 3.48Å; P100-F108 WeakPolarHBondContact CG-O 3.4Å; P100-F108 PolarHBondContact O-N 3.2Å |
| 101 | V | 93.2 | Very high | 93.5 | Very high | 72 Ų | 72 | 65.7 Ų | 65.7 | 44% | 0.436 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -124.3 | 128.5 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 106.6 | G105 N106 F107 | V101-G105 VanDerWaalsContact CG1-C 3.43Å; V101-N106 CarbonylContact C-O 3.59Å; V101-N106 VanDerWaalsContact CA-O 3.24Å; V101-N106 WeakPolarHBondContact CA-O 3.38Å; V101-F107 HydrophobicContact CG2-CD1 3.69Å; V101-F107 HydrophobicContact CG2-CE1 3.65Å; V101-F107 HydrophobicContact CG2-CZ 4.45Å |
| 102 | D | 94.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 26% | 0.262 | 35% | 0.345 | S | S | . | . | trans | -76.6 | 177.6 | 178.1 | 72.1 | 12.2 | 0 | 0 | 0 | 112 | C104 G105 N106 F108 | D102-C104 PolarHBondContact O-N 3.05Å; D102-C104 VanDerWaalsContact OD1-C 3.32Å; D102-C104 VanDerWaalsContact OD1-CA 3.3Å; D102-C104 WeakPolarHBondContact OD1-CA 3.29Å; D102-C104 WeakPolarHBondContact OD1-CB 3.35Å; D102-C104 PolarHBondContact OD1-N 3.02Å; D102-G105 PolarHBondContact O-N 2.92Å; D102-G105 PolarHBondContact OD1-N 3.21Å; D102-N106 PolarHBondContact N-O 3.29Å; D102-N106 PolarHBondContact OD1-N 2.82Å; D102-N106 WeakPolarHBondContact OD2-CB 3.41Å; D102-N106 PolarHBondContact OD2-ND2 3.19Å; D102-F108 HydrophobicContact CB-CD1 4.05Å; D102-F108 HydrophobicContact CB-CE1 4.07Å | ||
| 103 | D | 93.6 | Very high | 94.2 | Very high | 181 Ų | 181 | 59.6 Ų | 59.6 | 97% | 0.968 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.4 | 179.9 | -64.5 | -31.8 | 0 | 0 | 0 | 113.2 | ||
| 104 | C | 94.3 | Very high | 94.3 | Very high | 108 Ų | 108 | 59.2 Ų | 59.2 | 73% | 0.73 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -3.6 | 175.5 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | D102 N106 | D102-C104 PolarHBondContact O-N 3.05Å; D102-C104 VanDerWaalsContact OD1-C 3.32Å; D102-C104 VanDerWaalsContact OD1-CA 3.3Å; D102-C104 WeakPolarHBondContact OD1-CA 3.29Å; D102-C104 WeakPolarHBondContact OD1-CB 3.35Å; D102-C104 PolarHBondContact OD1-N 3.02Å; C104-N106 WeakPolarHBondContact CB-ND2 3.45Å |
| 105 | G | 91.8 | Very high | 94.2 | Very high | 41 Ų | 41 | 62.2 Ų | 62.2 | 42% | 0.423 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 86.4 | 9.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V101 D102 | V101-G105 VanDerWaalsContact CG1-C 3.43Å; D102-G105 PolarHBondContact O-N 2.92Å; D102-G105 PolarHBondContact OD1-N 3.21Å |
| 106 | N | 95.7 | Very high | 94.1 | Very high | 41 Ų | 41 | 63 Ų | 63 | 22% | 0.219 | 35% | 0.348 | C | S | . | . | trans | -86.5 | 141.8 | 179 | -54 | -58.6 | 0 | 0 | 0 | 111.3 | V101 D102 C104 A113 F114 | V101-N106 CarbonylContact C-O 3.59Å; V101-N106 VanDerWaalsContact CA-O 3.24Å; V101-N106 WeakPolarHBondContact CA-O 3.38Å; D102-N106 PolarHBondContact N-O 3.29Å; D102-N106 PolarHBondContact OD1-N 2.82Å; D102-N106 WeakPolarHBondContact OD2-CB 3.41Å; D102-N106 PolarHBondContact OD2-ND2 3.19Å; C104-N106 WeakPolarHBondContact CB-ND2 3.45Å; N106-A113 HydrophobicContact CB-CB 3.98Å; N106-F114 CarbonylContact C-O 3.55Å; N106-F114 WeakPolarHBondContact CA-O 3.31Å; N106-F114 WeakPolarHBondContact CB-O 3.27Å | ||
| 107 | F | 95.4 | Very high | 94.1 | Very high | 43 Ų | 43 | 61.3 Ų | 61.3 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 137 | 171.2 | -58.8 | -86.2 | 0 | 0 | 0 | 109.8 | I84 I99 P100 V101 A113 F114 V117 L120 | I84-F107 HydrophobicContact CG1-CE1 4.3Å; I99-F107 HydrophobicContact CG2-CB 3.95Å; I99-F107 HydrophobicContact CG2-CD1 3.99Å; I99-F107 HydrophobicContact CG2-CG 4.44Å; P100-F107 WeakPolarHBondContact O-CA 3.36Å; V101-F107 HydrophobicContact CG2-CD1 3.69Å; V101-F107 HydrophobicContact CG2-CE1 3.65Å; V101-F107 HydrophobicContact CG2-CZ 4.45Å; F107-A113 CarbonylContact O-C 3.59Å; F107-A113 WeakPolarHBondContact O-CA 3.12Å; F107-F114 PolarHBondContact N-O 3.2Å; F107-F114 PolarHBondContact O-N 3.23Å; F107-V117 HydrophobicContact CB-CG2 4.49Å; F107-V117 HydrophobicContact CD1-CG2 3.64Å; F107-V117 HydrophobicContact CD2-CG2 3.87Å; F107-V117 HydrophobicContact CE1-CG2 3.71Å; F107-V117 HydrophobicContact CE2-CG2 3.94Å; F107-V117 HydrophobicContact CG-CG2 3.72Å; F107-V117 HydrophobicContact CZ-CG2 3.86Å; F107-L120 HydrophobicContact CB-CD2 3.91Å |
| 108 | F | 95.5 | Very high | 94.1 | Very high | 63 Ų | 63 | 59.7 Ų | 59.7 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 153.7 | -177.7 | 71.6 | -88.6 | 0 | 0 | 0 | 114.5 | P100 D102 N110 F112 A113 | P100-F108 HydrophobicContact CB-CD1 4.14Å; P100-F108 HydrophobicContact CB-CE1 3.5Å; P100-F108 HydrophobicContact CB-CE2 4.15Å; P100-F108 HydrophobicContact CB-CZ 3.51Å; P100-F108 VanDerWaalsContact CD-O 3.23Å; P100-F108 WeakPolarHBondContact CD-O 3.44Å; P100-F108 HydrophobicContact CG-CD1 3.88Å; P100-F108 HydrophobicContact CG-CD2 3.84Å; P100-F108 HydrophobicContact CG-CE1 3.63Å; P100-F108 HydrophobicContact CG-CE2 3.58Å; P100-F108 HydrophobicContact CG-CG 3.99Å; P100-F108 HydrophobicContact CG-CZ 3.48Å; P100-F108 VanDerWaalsContact CG-CZ 3.48Å; P100-F108 WeakPolarHBondContact CG-O 3.4Å; P100-F108 PolarHBondContact O-N 3.2Å; D102-F108 HydrophobicContact CB-CD1 4.05Å; D102-F108 HydrophobicContact CB-CE1 4.07Å; F108-N110 WeakPolarHBondContact CD2-O 3.42Å; F108-F112 WeakPolarHBondContact CA-O 3.23Å; F108-F112 WeakPolarHBondContact CB-O 3.31Å; F108-A113 HydrophobicContact CB-CB 3.8Å |
| 109 | F | 93.4 | Very high | 94 | Very high | 13 Ų | 13 | 56.9 Ų | 56.9 | 6% | 0.057 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.9 | 160.7 | -72.6 | -57.3 | 0 | 0 | 0 | 108 | L86 I99 E111 F112 L120 L121 H124 I131 | L86-F109 HydrophobicContact CB-CZ 4.27Å; L86-F109 HydrophobicContact CD2-CE2 3.99Å; L86-F109 HydrophobicContact CD2-CZ 3.63Å; I99-F109 HydrophobicContact CD1-CE2 4.44Å; I99-F109 HydrophobicContact CD1-CZ 4.14Å; I99-F109 HydrophobicContact CG1-CE1 4.41Å; I99-F109 HydrophobicContact CG1-CZ 3.81Å; I99-F109 HydrophobicContact CG2-CZ 4.36Å; F109-E111 PolarHBondContact O-N 3.2Å; F109-F112 PolarHBondContact N-O 2.93Å; F109-F112 VanDerWaalsContact N-O 3.15Å; F109-F112 PolarHBondContact O-N 3.33Å; F109-L120 HydrophobicContact CB-CD1 4.33Å; F109-L120 HydrophobicContact CD2-CD1 4.01Å; F109-L120 HydrophobicContact CD2-CD2 3.58Å; F109-L120 HydrophobicContact CD2-CG 3.79Å; F109-L120 HydrophobicContact CE2-CD2 3.78Å; F109-L120 HydrophobicContact CE2-CG 4.25Å; F109-L120 HydrophobicContact CG-CD2 4.27Å; F109-L121 HydrophobicContact CE2-CD2 4.36Å; F109-H124 WeakPolarHBondContact CB-NE2 3.16Å; F109-I131 HydrophobicContact CD2-CB 4.28Å; F109-I131 HydrophobicContact CD2-CG2 3.91Å; F109-I131 HydrophobicContact CE2-CG2 4.2Å; F109-I131 HydrophobicContact CG-CB 4.34Å; F109-I131 HydrophobicContact CG-CG2 4.41Å |
| 110 | N | 90.8 | Very high | 94 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | -124.7 | -172 | -45.2 | -33.8 | 0 | 0 | 0 | 110.2 | F108 P130 | F108-N110 WeakPolarHBondContact CD2-O 3.42Å; N110-P130 PolarHBondContact ND2-O 3.34Å |
| 111 | E | 91.5 | Very high | 94 | Very high | 149 Ų | 149 | 55 Ų | 55 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -1.3 | 176.7 | 67.7 | -86 | -160.4 | 0 | 0 | 115.1 | F109 | F109-E111 PolarHBondContact O-N 3.2Š|
| 112 | F | 95.5 | Very high | 94 | Very high | 53 Ų | 53 | 53.8 Ų | 53.8 | 23% | 0.232 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.1 | -172.7 | -55.4 | -77.7 | 0 | 0 | 0 | 111.6 | F108 F109 F114 L120 F123 I129 | F108-F112 WeakPolarHBondContact CA-O 3.23Å; F108-F112 WeakPolarHBondContact CB-O 3.31Å; F109-F112 PolarHBondContact N-O 2.93Å; F109-F112 VanDerWaalsContact N-O 3.15Å; F109-F112 PolarHBondContact O-N 3.33Å; F112-F114 HydrophobicContact CB-CE2 3.94Å; F112-L120 WeakPolarHBondContact O-CD1 3.5Å; F112-F123 HydrophobicContact CB-CD1 4.17Å; F112-F123 HydrophobicContact CB-CE1 3.84Å; F112-F123 HydrophobicContact CD1-CD1 4.4Å; F112-F123 AromaticContact CD1-CE1 3.35Å; F112-F123 HydrophobicContact CD1-CE1 3.35Å; F112-F123 AromaticContact CD1-CZ 3.48Å; F112-F123 HydrophobicContact CD1-CZ 3.48Å; F112-F123 VanDerWaalsContact CD1-CZ 3.48Å; F112-F123 AromaticContact CD2-CE1 3.85Å; F112-F123 HydrophobicContact CD2-CE1 3.85Å; F112-F123 AromaticContact CE1-CE1 3.78Å; F112-F123 HydrophobicContact CE1-CE1 3.78Å; F112-F123 AromaticContact CE1-CZ 3.63Å; F112-F123 HydrophobicContact CE1-CZ 3.63Å; F112-F123 HydrophobicContact CE2-CE1 4.24Å; F112-F123 HydrophobicContact CG-CD1 4.18Å; F112-F123 AromaticContact CG-CE1 3.38Å; F112-F123 HydrophobicContact CG-CE1 3.38Å; F112-F123 HydrophobicContact CG-CZ 4.03Å; F112-F123 HydrophobicContact CZ-CE1 4.21Å; F112-F123 HydrophobicContact CZ-CZ 4.3Å; F112-I129 HydrophobicContact CD2-CG2 4.29Å; F112-I129 HydrophobicContact CE1-CD1 4.47Å; F112-I129 HydrophobicContact CE2-CD1 4.05Å; F112-I129 HydrophobicContact CE2-CG2 3.84Å; F112-I129 HydrophobicContact CZ-CD1 3.92Å |
| 113 | A | 96.3 | Very high | 94 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 37% | 0.372 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 138.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | N106 F107 F108 | N106-A113 HydrophobicContact CB-CB 3.98Å; F107-A113 CarbonylContact O-C 3.59Å; F107-A113 WeakPolarHBondContact O-CA 3.12Å; F108-A113 HydrophobicContact CB-CB 3.8Å |
| 114 | F | 95.6 | Very high | 94 | Very high | 46 Ų | 46 | 45 Ų | 45 | 20% | 0.202 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 149.3 | -178.8 | -63.4 | -88 | 0 | 0 | 0 | 111.7 | N106 F107 F112 T116 E119 L120 F123 | N106-F114 CarbonylContact C-O 3.55Å; N106-F114 WeakPolarHBondContact CA-O 3.31Å; N106-F114 WeakPolarHBondContact CB-O 3.27Å; F107-F114 PolarHBondContact N-O 3.2Å; F107-F114 PolarHBondContact O-N 3.23Å; F112-F114 HydrophobicContact CB-CE2 3.94Å; F114-T116 VanDerWaalsContact C-N 3.25Å; F114-T116 PolarHBondContact O-N 2.97Å; F114-E119 HydrophobicContact CB-CB 3.78Å; F114-E119 HydrophobicContact CD1-CB 3.92Å; F114-E119 HydrophobicContact CG-CB 4.03Å; F114-L120 HydrophobicContact CB-CB 4.21Å; F114-L120 VanDerWaalsContact CD2-CA 3.49Å; F114-L120 HydrophobicContact CD2-CB 3.97Å; F114-L120 HydrophobicContact CD2-CD1 3.73Å; F114-L120 HydrophobicContact CD2-CG 4.49Å; F114-L120 HydrophobicContact CE2-CD1 4.22Å; F114-L120 HydrophobicContact CG-CB 4.44Å; F114-F123 HydrophobicContact CD2-CB 4.49Å; F114-F123 HydrophobicContact CE1-CB 4.16Å; F114-F123 HydrophobicContact CE1-CD2 4.32Å; F114-F123 HydrophobicContact CE1-CG 4.28Å; F114-F123 HydrophobicContact CE2-CB 3.62Å; F114-F123 AromaticContact CE2-CD1 3.66Å; F114-F123 HydrophobicContact CE2-CD1 3.66Å; F114-F123 HydrophobicContact CE2-CD2 4.3Å; F114-F123 HydrophobicContact CE2-CE1 4.41Å; F114-F123 AromaticContact CE2-CG 3.6Å; F114-F123 HydrophobicContact CE2-CG 3.6Å; F114-F123 HydrophobicContact CZ-CB 3.44Å; F114-F123 VanDerWaalsContact CZ-CB 3.44Å; F114-F123 AromaticContact CZ-CD1 3.73Å; F114-F123 HydrophobicContact CZ-CD1 3.73Å; F114-F123 AromaticContact CZ-CD2 3.52Å; F114-F123 HydrophobicContact CZ-CD2 3.52Å; F114-F123 HydrophobicContact CZ-CE1 4.36Å; F114-F123 HydrophobicContact CZ-CE2 4.16Å; F114-F123 AromaticContact CZ-CG 3.26Å; F114-F123 HydrophobicContact CZ-CG 3.26Å |
| 115 | P | 93 | Very high | 93.9 | Very high | 76 Ų | 76 | 40.5 Ų | 40.5 | 49% | 0.494 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -70.7 | -21.8 | -176.2 | 25.2 | -28.9 | 0 | 0 | 0 | 112.9 | E119 | P115-E119 WeakPolarHBondContact CD-OE2 3.33Å; P115-E119 VanDerWaalsContact CG-OE2 3.25Å; P115-E119 WeakPolarHBondContact CG-OE2 3.37Å |
| 116 | T | 93.4 | Very high | 94 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 23% | 0.233 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -121.1 | 152.2 | 174.4 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | F114 H118 E119 L120 | F114-T116 VanDerWaalsContact C-N 3.25Å; F114-T116 PolarHBondContact O-N 2.97Å; T116-H118 PolarHBondContact O-N 3.27Å; T116-E119 WeakPolarHBondContact CB-OE2 3.36Å; T116-E119 WeakPolarHBondContact CG2-OE2 3.46Å; T116-E119 PolarHBondContact N-OE2 3.34Å; T116-E119 VanDerWaalsContact N-OE2 3.15Å; T116-E119 PolarHBondContact O-N 3.03Å; T116-E119 WeakPolarHBondContact OG1-CB 3.46Å; T116-E119 VanDerWaalsContact OG1-CG 3.26Å; T116-E119 WeakPolarHBondContact OG1-CG 3.41Å; T116-E119 PolarHBondContact OG1-N 3.48Å; T116-E119 VanDerWaalsContact OG1-N 3.12Å; T116-E119 PolarHBondContact OG1-OE2 2.97Å; T116-L120 PolarHBondContact O-N 3.46Å |
| 117 | V | 93.7 | Very high | 93.8 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -35.9 | 172 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L43 I84 I99 F107 L120 L121 | L43-V117 HydrophobicContact CD1-CB 4.23Å; L43-V117 HydrophobicContact CD1-CG1 4.24Å; L43-V117 HydrophobicContact CD2-CG2 4.32Å; I84-V117 HydrophobicContact CG2-CG1 4.48Å; I84-V117 HydrophobicContact CG2-CG2 4.15Å; I99-V117 HydrophobicContact CD1-CG1 3.94Å; F107-V117 HydrophobicContact CB-CG2 4.49Å; F107-V117 HydrophobicContact CD1-CG2 3.64Å; F107-V117 HydrophobicContact CD2-CG2 3.87Å; F107-V117 HydrophobicContact CE1-CG2 3.71Å; F107-V117 HydrophobicContact CE2-CG2 3.94Å; F107-V117 HydrophobicContact CG-CG2 3.72Å; F107-V117 HydrophobicContact CZ-CG2 3.86Å; V117-L120 PolarHBondContact O-N 3.12Å; V117-L121 HydrophobicContact CG1-CD1 3.79Å; V117-L121 HydrophobicContact CG1-CG 4.22Å; V117-L121 VanDerWaalsContact O-CG 3.22Å; V117-L121 WeakPolarHBondContact O-CG 3.47Å; V117-L121 PolarHBondContact O-N 3.1Å |
| 118 | H | 94 | Very high | 93.7 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.1 | -48.6 | 179.8 | -174.7 | 76.6 | 0 | 0 | 0 | 111.8 | Y46 Y48 T116 L120 L121 F122 | Y46-H118 AromaticContact CD1-ND1 3.63Å; Y46-H118 HydrophobicContact CE1-CB 4.15Å; Y46-H118 AromaticContact CE1-CE1 3.47Å; Y46-H118 VanDerWaalsContact CE1-CE1 3.47Å; Y46-H118 WeakPolarHBondContact CE1-CE1 3.44Å; Y46-H118 AromaticContact CE1-CG 3.53Å; Y46-H118 AromaticContact CE1-ND1 3.13Å; Y46-H118 WeakPolarHBondContact CE1-ND1 3.33Å; Y46-H118 HydrophobicContact CE2-CB 3.96Å; Y46-H118 AromaticContact CZ-CG 3.44Å; Y46-H118 VanDerWaalsContact CZ-CG 3.44Å; Y46-H118 AromaticContact CZ-ND1 3.54Å; Y46-H118 WeakPolarHBondContact OH-CB 3.43Å; Y46-H118 VanDerWaalsContact OH-CG 3.26Å; Y48-H118 AromaticContact CE1-ND1 3.86Å; Y48-H118 AromaticContact CZ-ND1 3.76Å; Y48-H118 WeakPolarHBondContact OH-CB 3.25Å; Y48-H118 PolarHBondContact OH-ND1 3.4Å; T116-H118 PolarHBondContact O-N 3.27Å; H118-L120 VanDerWaalsContact C-N 3.31Å; H118-L120 PolarHBondContact O-N 2.88Å; H118-L121 PolarHBondContact O-N 3.35Å; H118-F122 VanDerWaalsContact O-CB 3.22Å; H118-F122 WeakPolarHBondContact O-CB 3.18Å; H118-F122 PolarHBondContact O-N 3.12Å |
| 119 | E | 93.2 | Very high | 93.5 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 19% | 0.192 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 178.1 | -73.3 | 164.6 | 127.7 | 0 | 0 | 111.8 | F114 P115 T116 F122 F123 | F114-E119 HydrophobicContact CB-CB 3.78Å; F114-E119 HydrophobicContact CD1-CB 3.92Å; F114-E119 HydrophobicContact CG-CB 4.03Å; P115-E119 WeakPolarHBondContact CD-OE2 3.33Å; P115-E119 VanDerWaalsContact CG-OE2 3.25Å; P115-E119 WeakPolarHBondContact CG-OE2 3.37Å; T116-E119 WeakPolarHBondContact CB-OE2 3.36Å; T116-E119 WeakPolarHBondContact CG2-OE2 3.46Å; T116-E119 PolarHBondContact N-OE2 3.34Å; T116-E119 VanDerWaalsContact N-OE2 3.15Å; T116-E119 PolarHBondContact O-N 3.03Å; T116-E119 WeakPolarHBondContact OG1-CB 3.46Å; T116-E119 VanDerWaalsContact OG1-CG 3.26Å; T116-E119 WeakPolarHBondContact OG1-CG 3.41Å; T116-E119 PolarHBondContact OG1-N 3.48Å; T116-E119 VanDerWaalsContact OG1-N 3.12Å; T116-E119 PolarHBondContact OG1-OE2 2.97Å; E119-F122 PolarHBondContact O-N 3.49Å; E119-F123 VanDerWaalsContact O-CB 3.3Å; E119-F123 WeakPolarHBondContact O-CB 3.41Å; E119-F123 PolarHBondContact O-N 3.37Å |
| 120 | L | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58 | -52.9 | 174.3 | 176.9 | 66 | 0 | 0 | 0 | 111.7 | I99 F107 F109 F112 F114 T116 V117 H118 F122 F123 H124 | I99-L120 HydrophobicContact CG2-CD2 3.72Å; F107-L120 HydrophobicContact CB-CD2 3.91Å; F109-L120 HydrophobicContact CB-CD1 4.33Å; F109-L120 HydrophobicContact CD2-CD1 4.01Å; F109-L120 HydrophobicContact CD2-CD2 3.58Å; F109-L120 HydrophobicContact CD2-CG 3.79Å; F109-L120 HydrophobicContact CE2-CD2 3.78Å; F109-L120 HydrophobicContact CE2-CG 4.25Å; F109-L120 HydrophobicContact CG-CD2 4.27Å; F112-L120 WeakPolarHBondContact O-CD1 3.5Å; F114-L120 HydrophobicContact CB-CB 4.21Å; F114-L120 VanDerWaalsContact CD2-CA 3.49Å; F114-L120 HydrophobicContact CD2-CB 3.97Å; F114-L120 HydrophobicContact CD2-CD1 3.73Å; F114-L120 HydrophobicContact CD2-CG 4.49Å; F114-L120 HydrophobicContact CE2-CD1 4.22Å; F114-L120 HydrophobicContact CG-CB 4.44Å; T116-L120 PolarHBondContact O-N 3.46Å; V117-L120 PolarHBondContact O-N 3.12Å; H118-L120 VanDerWaalsContact C-N 3.31Å; H118-L120 PolarHBondContact O-N 2.88Å; L120-F122 PolarHBondContact O-N 3.49Å; L120-F123 PolarHBondContact O-N 3.2Å; L120-H124 PolarHBondContact O-CD2 2.95Å; L120-H124 VanDerWaalsContact O-CD2 3.31Å; L120-H124 PolarHBondContact O-N 3.5Å; L120-H124 VanDerWaalsContact O-N 3.14Å |
| 121 | L | 94.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | -178.8 | -64.4 | 170.9 | 0 | 0 | 0 | 111.5 | Y48 F70 I72 L86 F109 V117 H118 H124 W125 L141 | Y48-L121 HydrophobicContact CE2-CD1 3.98Å; F70-L121 HydrophobicContact CE2-CD1 4.18Å; F70-L121 HydrophobicContact CE2-CD2 4.35Å; I72-L121 HydrophobicContact CD1-CD1 3.79Å; I72-L121 HydrophobicContact CD1-CD2 4.26Å; I72-L121 HydrophobicContact CG1-CD1 3.8Å; L86-L121 HydrophobicContact CD1-CD2 4.4Å; F109-L121 HydrophobicContact CE2-CD2 4.36Å; V117-L121 HydrophobicContact CG1-CD1 3.79Å; V117-L121 HydrophobicContact CG1-CG 4.22Å; V117-L121 VanDerWaalsContact O-CG 3.22Å; V117-L121 WeakPolarHBondContact O-CG 3.47Å; V117-L121 PolarHBondContact O-N 3.1Å; H118-L121 PolarHBondContact O-N 3.35Å; L121-H124 PolarHBondContact O-N 3Å; L121-W125 VanDerWaalsContact O-CB 3.31Å; L121-W125 WeakPolarHBondContact O-CB 2.99Å; L121-W125 PolarHBondContact O-N 3.4Å; L121-L141 HydrophobicContact CB-CD1 4.11Å; L121-L141 HydrophobicContact CD2-CD1 3.61Å; L121-L141 HydrophobicContact CG-CD1 4.48Å |
| 122 | F | 92.9 | Very high | 93.1 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 178.9 | -177.8 | -106.7 | 0 | 0 | 0 | 111.4 | H118 E119 L120 W125 K126 | H118-F122 VanDerWaalsContact O-CB 3.22Å; H118-F122 WeakPolarHBondContact O-CB 3.18Å; H118-F122 PolarHBondContact O-N 3.12Å; E119-F122 PolarHBondContact O-N 3.49Å; L120-F122 PolarHBondContact O-N 3.49Å; F122-W125 HydrophobicContact CD2-CE3 4.05Å; F122-W125 HydrophobicContact CD2-CZ3 4.1Å; F122-W125 HydrophobicContact CE2-CE3 4.23Å; F122-W125 AromaticContact CE2-CZ3 3.83Å; F122-W125 HydrophobicContact CE2-CZ3 3.83Å; F122-K126 HydrophobicContact CD1-CD 4.41Å; F122-K126 HydrophobicContact CE1-CD 3.64Å; F122-K126 HydrophobicContact CZ-CD 3.72Å; F122-K126 WeakPolarHBondContact O-CB 3.16Å; F122-K126 PolarHBondContact O-N 3.43Å |
| 123 | F | 94.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 46 Ų | 46 | 20% | 0.197 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.3 | -53.7 | 175.8 | 175.5 | -96.8 | 0 | 0 | 0 | 111.9 | F112 F114 E119 L120 W125 K126 Q127 I129 | F112-F123 HydrophobicContact CB-CD1 4.17Å; F112-F123 HydrophobicContact CB-CE1 3.84Å; F112-F123 HydrophobicContact CD1-CD1 4.4Å; F112-F123 AromaticContact CD1-CE1 3.35Å; F112-F123 HydrophobicContact CD1-CE1 3.35Å; F112-F123 AromaticContact CD1-CZ 3.48Å; F112-F123 HydrophobicContact CD1-CZ 3.48Å; F112-F123 VanDerWaalsContact CD1-CZ 3.48Å; F112-F123 AromaticContact CD2-CE1 3.85Å; F112-F123 HydrophobicContact CD2-CE1 3.85Å; F112-F123 AromaticContact CE1-CE1 3.78Å; F112-F123 HydrophobicContact CE1-CE1 3.78Å; F112-F123 AromaticContact CE1-CZ 3.63Å; F112-F123 HydrophobicContact CE1-CZ 3.63Å; F112-F123 HydrophobicContact CE2-CE1 4.24Å; F112-F123 HydrophobicContact CG-CD1 4.18Å; F112-F123 AromaticContact CG-CE1 3.38Å; F112-F123 HydrophobicContact CG-CE1 3.38Å; F112-F123 HydrophobicContact CG-CZ 4.03Å; F112-F123 HydrophobicContact CZ-CE1 4.21Å; F112-F123 HydrophobicContact CZ-CZ 4.3Å; F114-F123 HydrophobicContact CD2-CB 4.49Å; F114-F123 HydrophobicContact CE1-CB 4.16Å; F114-F123 HydrophobicContact CE1-CD2 4.32Å; F114-F123 HydrophobicContact CE1-CG 4.28Å; F114-F123 HydrophobicContact CE2-CB 3.62Å; F114-F123 AromaticContact CE2-CD1 3.66Å; F114-F123 HydrophobicContact CE2-CD1 3.66Å; F114-F123 HydrophobicContact CE2-CD2 4.3Å; F114-F123 HydrophobicContact CE2-CE1 4.41Å; F114-F123 AromaticContact CE2-CG 3.6Å; F114-F123 HydrophobicContact CE2-CG 3.6Å; F114-F123 HydrophobicContact CZ-CB 3.44Å; F114-F123 VanDerWaalsContact CZ-CB 3.44Å; F114-F123 AromaticContact CZ-CD1 3.73Å; F114-F123 HydrophobicContact CZ-CD1 3.73Å; F114-F123 AromaticContact CZ-CD2 3.52Å; F114-F123 HydrophobicContact CZ-CD2 3.52Å; F114-F123 HydrophobicContact CZ-CE1 4.36Å; F114-F123 HydrophobicContact CZ-CE2 4.16Å; F114-F123 AromaticContact CZ-CG 3.26Å; F114-F123 HydrophobicContact CZ-CG 3.26Å; E119-F123 VanDerWaalsContact O-CB 3.3Å; E119-F123 WeakPolarHBondContact O-CB 3.41Å; E119-F123 PolarHBondContact O-N 3.37Å; L120-F123 PolarHBondContact O-N 3.2Å; F123-W125 VanDerWaalsContact C-N 3.3Å; F123-W125 PolarHBondContact O-N 3.38Å; F123-K126 PolarHBondContact O-N 3.37Å; F123-Q127 HydrophobicContact CD2-CG 3.78Å; F123-Q127 HydrophobicContact CE2-CG 3.62Å; F123-Q127 HydrophobicContact CG-CG 4.36Å; F123-Q127 HydrophobicContact CZ-CG 4.05Å; F123-Q127 WeakPolarHBondContact O-CB 3.27Å; F123-Q127 WeakPolarHBondContact O-CG 3.34Å; F123-Q127 PolarHBondContact O-N 3.04Å; F123-I129 HydrophobicContact CD1-CD1 4.49Å; F123-I129 HydrophobicContact CE1-CD1 3.51Å; F123-I129 HydrophobicContact CZ-CD1 3.63Å |
| 124 | H | 94.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.8 | -40.6 | -179.4 | -86.6 | -87.1 | 0 | 0 | 0 | 112.6 | F109 L120 L121 R128 I129 I131 L141 | F109-H124 WeakPolarHBondContact CB-NE2 3.16Å; L120-H124 PolarHBondContact O-CD2 2.95Å; L120-H124 VanDerWaalsContact O-CD2 3.31Å; L120-H124 PolarHBondContact O-N 3.5Å; L120-H124 VanDerWaalsContact O-N 3.14Å; L121-H124 PolarHBondContact O-N 3Å; H124-R128 CarbonylContact O-C 3.55Å; H124-R128 WeakPolarHBondContact O-CA 3.33Å; H124-R128 PolarHBondContact O-N 2.59Å; H124-R128 VanDerWaalsContact O-N 3.16Å; H124-I129 PolarHBondContact ND1-O 2.94Å; H124-I129 PolarHBondContact O-N 2.89Å; H124-I131 HydrophobicContact CB-CG2 4.02Å; H124-L141 HydrophobicContact CB-CD1 3.96Å |
| 125 | W | 92.9 | Very high | 90.2 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.045 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.7 | -49.2 | 177.8 | 169.6 | 80.2 | 0 | 0 | 0 | 112.7 | M10 E11 L121 F122 F123 R128 L141 | M10-W125 HydrophobicContact CB-CD2 3.53Å; M10-W125 HydrophobicContact CB-CE3 3.98Å; M10-W125 HydrophobicContact CB-CG 3.93Å; M10-W125 HydrophobicContact CB-CH2 4.22Å; M10-W125 HydrophobicContact CB-CZ2 3.78Å; M10-W125 HydrophobicContact CB-CZ3 4.29Å; M10-W125 HydrophobicContact CE-CB 3.24Å; M10-W125 HydrophobicContact CE-CD2 3.94Å; M10-W125 HydrophobicContact CE-CG 3.3Å; M10-W125 HydrophobicContact CG-CD2 3.77Å; M10-W125 HydrophobicContact CG-CE3 3.82Å; M10-W125 HydrophobicContact CG-CG 4.16Å; M10-W125 HydrophobicContact CG-CZ3 4.25Å; M10-W125 HydrophobicContact SD-CB 3.36Å; M10-W125 WeakPolarHBondContact SD-CB 3.06Å; M10-W125 HydrophobicContact SD-CD2 3.32Å; M10-W125 HydrophobicContact SD-CE3 3.36Å; M10-W125 HydrophobicContact SD-CG 3.3Å; M10-W125 HydrophobicContact SD-CZ3 4.3Å; E11-W125 HydrophobicContact CB-CH2 3.99Å; E11-W125 HydrophobicContact CB-CZ2 3.59Å; E11-W125 VanDerWaalsContact CD-CH2 3.43Å; E11-W125 HydrophobicContact CG-CH2 3.51Å; E11-W125 HydrophobicContact CG-CZ2 3.62Å; L121-W125 VanDerWaalsContact O-CB 3.31Å; L121-W125 WeakPolarHBondContact O-CB 2.99Å; L121-W125 PolarHBondContact O-N 3.4Å; F122-W125 HydrophobicContact CD2-CE3 4.05Å; F122-W125 HydrophobicContact CD2-CZ3 4.1Å; F122-W125 HydrophobicContact CE2-CE3 4.23Å; F122-W125 AromaticContact CE2-CZ3 3.83Å; F122-W125 HydrophobicContact CE2-CZ3 3.83Å; F123-W125 VanDerWaalsContact C-N 3.3Å; F123-W125 PolarHBondContact O-N 3.38Å; W125-R128 WeakPolarHBondContact O-CD 3.46Å; W125-R128 PolarHBondContact O-N 2.91Å; W125-L141 HydrophobicContact CB-CB 4.15Å |
| 126 | K | 92.5 | Very high | 89.3 | Confident | 124 Ų | 124 | 52.3 Ų | 52.3 | 54% | 0.539 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.5 | -43.8 | -176.8 | -179.4 | 177 | 178 | -176.3 | 0 | 112 | F122 F123 R128 | F122-K126 HydrophobicContact CD1-CD 4.41Å; F122-K126 HydrophobicContact CE1-CD 3.64Å; F122-K126 HydrophobicContact CZ-CD 3.72Å; F122-K126 WeakPolarHBondContact O-CB 3.16Å; F122-K126 PolarHBondContact O-N 3.43Å; F123-K126 PolarHBondContact O-N 3.37Å; K126-R128 PolarHBondContact O-N 2.81Å |
| 127 | Q | 93.2 | Very high | 88.7 | Confident | 106 Ų | 106 | 53.6 Ų | 53.6 | 50% | 0.495 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -5.4 | 178.4 | -58.6 | -58.1 | -26.5 | 0 | 0 | 112.8 | F123 I129 | F123-Q127 HydrophobicContact CD2-CG 3.78Å; F123-Q127 HydrophobicContact CE2-CG 3.62Å; F123-Q127 HydrophobicContact CG-CG 4.36Å; F123-Q127 HydrophobicContact CZ-CG 4.05Å; F123-Q127 WeakPolarHBondContact O-CB 3.27Å; F123-Q127 WeakPolarHBondContact O-CG 3.34Å; F123-Q127 PolarHBondContact O-N 3.04Å; Q127-I129 VanDerWaalsContact C-N 3.28Å; Q127-I129 HydrophobicContact CB-CD1 3.65Å; Q127-I129 HydrophobicContact CB-CG1 3.77Å; Q127-I129 HydrophobicContact CG-CD1 4.38Å; Q127-I129 PolarHBondContact O-N 2.94Å |
| 128 | R | 91.4 | Very high | 88.4 | Confident | 131 Ų | 131 | 58.8 Ų | 58.8 | 49% | 0.494 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 48.9 | -173.5 | -60.5 | -67.7 | -175.3 | 153.4 | -0.7 | 111.2 | H124 W125 K126 F140 | H124-R128 CarbonylContact O-C 3.55Å; H124-R128 WeakPolarHBondContact O-CA 3.33Å; H124-R128 PolarHBondContact O-N 2.59Å; H124-R128 VanDerWaalsContact O-N 3.16Å; W125-R128 WeakPolarHBondContact O-CD 3.46Å; W125-R128 PolarHBondContact O-N 2.91Å; K126-R128 PolarHBondContact O-N 2.81Å; R128-F140 VanDerWaalsContact O-CE1 3.24Å; R128-F140 WeakPolarHBondContact O-CE1 3.25Å |
| 129 | I | 92.7 | Very high | 88.2 | Confident | 38 Ų | 38 | 59 Ų | 59 | 20% | 0.195 | 28% | 0.282 | C | S | . | . | trans | -99.4 | 126.5 | 176.1 | -66.2 | 172.5 | 0 | 0 | 0 | 108.3 | F112 F123 H124 Q127 | F112-I129 HydrophobicContact CD2-CG2 4.29Å; F112-I129 HydrophobicContact CE1-CD1 4.47Å; F112-I129 HydrophobicContact CE2-CD1 4.05Å; F112-I129 HydrophobicContact CE2-CG2 3.84Å; F112-I129 HydrophobicContact CZ-CD1 3.92Å; F123-I129 HydrophobicContact CD1-CD1 4.49Å; F123-I129 HydrophobicContact CE1-CD1 3.51Å; F123-I129 HydrophobicContact CZ-CD1 3.63Å; H124-I129 PolarHBondContact ND1-O 2.94Å; H124-I129 PolarHBondContact O-N 2.89Å; Q127-I129 VanDerWaalsContact C-N 3.28Å; Q127-I129 HydrophobicContact CB-CD1 3.65Å; Q127-I129 HydrophobicContact CB-CG1 3.77Å; Q127-I129 HydrophobicContact CG-CD1 4.38Å; Q127-I129 PolarHBondContact O-N 2.94Å | ||
| 130 | P | 92.2 | Very high | 88.2 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | trans | -65.7 | 141.6 | -179.2 | 28.2 | -33.5 | 0 | 0 | 0 | 111 | N110 E138 L139 F140 | N110-P130 PolarHBondContact ND2-O 3.34Å; P130-E138 HydrophobicContact CB-CB 3.92Å; P130-E138 HydrophobicContact CB-CG 4.37Å; P130-E138 HydrophobicContact CG-CB 4.29Å; P130-E138 HydrophobicContact CG-CG 4.24Å; P130-L139 CarbonylContact C-O 3.52Å; P130-L139 VanDerWaalsContact CA-O 3.25Å; P130-L139 WeakPolarHBondContact CA-O 3.38Å; P130-F140 HydrophobicContact CB-CD1 4.28Å; P130-F140 HydrophobicContact CB-CE1 4.01Å; P130-F140 HydrophobicContact CB-CZ 4.22Å; P130-F140 HydrophobicContact CG-CE1 4.26Å; P130-F140 HydrophobicContact CG-CZ 4.45Å | ||
| 131 | I | 89.5 | Confident | 88.1 | Confident | 6 Ų | 6 | 60 Ų | 60 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -81.3 | -19.9 | 177.8 | 56.6 | 165.5 | 0 | 0 | 0 | 112.4 | L86 I88 Y97 F109 H124 L139 L141 | L86-I131 HydrophobicContact CD2-CD1 3.35Å; I88-I131 HydrophobicContact CD1-CD1 4.01Å; I88-I131 HydrophobicContact CG2-CD1 4.47Å; Y97-I131 HydrophobicContact CE2-CD1 4.44Å; F109-I131 HydrophobicContact CD2-CB 4.28Å; F109-I131 HydrophobicContact CD2-CG2 3.91Å; F109-I131 HydrophobicContact CE2-CG2 4.2Å; F109-I131 HydrophobicContact CG-CB 4.34Å; F109-I131 HydrophobicContact CG-CG2 4.41Å; H124-I131 HydrophobicContact CB-CG2 4.02Å; I131-L139 HydrophobicContact CD1-CD2 3.96Å; I131-L139 HydrophobicContact CD1-CG 4.19Å; I131-L139 HydrophobicContact CG1-CB 4.29Å; I131-L139 HydrophobicContact CG1-CD2 4.24Å; I131-L139 HydrophobicContact CG1-CG 4.14Å; I131-L139 VanDerWaalsContact CG1-O 3.32Å; I131-L139 WeakPolarHBondContact CG1-O 3.46Å; I131-L139 PolarHBondContact N-O 3.18Å; I131-L141 HydrophobicContact CD1-CD2 3.99Å; I131-L141 HydrophobicContact CG2-CD1 4.1Å; I131-L141 HydrophobicContact CG2-CD2 4.17Å; I131-L141 HydrophobicContact CG2-CG 3.85Å |
| 132 | S | 85.2 | Confident | 88 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 161.6 | -174.9 | -168.8 | 0 | 0 | 0 | 0 | 110 | Y97 L139 | Y97-S132 WeakPolarHBondContact OH-CB 3.28Å; Y97-S132 PolarHBondContact OH-OG 2.95Å; S132-L139 WeakPolarHBondContact O-CB 3.25Å; S132-L139 PolarHBondContact O-N 3.1Å |
| 133 | F | 81 | Confident | 88.1 | Confident | 133 Ų | 133 | 65 Ų | 65 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113.3 | 171.6 | -169.6 | -101.9 | 0 | 0 | 0 | 108.6 | E136 E138 | F133-E136 VanDerWaalsContact CZ-CA 3.46Å; F133-E136 HydrophobicContact CZ-CB 4.34Å; F133-E136 WeakPolarHBondContact CZ-O 3.46Å; F133-E138 HydrophobicContact CD2-CG 3.87Å; F133-E138 HydrophobicContact CE2-CG 4.14Å |
| 134 | I | 74.5 | Confident | 88.2 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.6 | -177.5 | -70 | -159.2 | 0 | 0 | 0 | 109.9 | Y97 E136 C137 | Y97-I134 HydrophobicContact CE1-CD1 4.2Å; Y97-I134 WeakPolarHBondContact OH-CD1 3.39Å; Y97-I134 WeakPolarHBondContact OH-CG1 3.44Å; I134-E136 PolarHBondContact O-N 3.2Å; I134-C137 PolarHBondContact N-O 2.85Å; I134-C137 WeakPolarHBondContact O-CA 3.42Å; I134-C137 WeakPolarHBondContact O-CB 3.35Å; I134-C137 PolarHBondContact O-N 3.03Å; I134-C137 VanDerWaalsContact O-O 3.06Å |
| 135 | D | 70.3 | Confident | 88.3 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 39.5 | 177.5 | -69.3 | -58.5 | 0 | 0 | 0 | 112.1 | K92 C137 | K92-D135 VanDerWaalsContact NZ-CG 3.29Å; K92-D135 IonicContact NZ-OD1 2.78Å; K92-D135 PolarHBondContact NZ-OD1 3.15Å; K92-D135 IonicContact NZ-OD2 3.7Å; D135-C137 PolarHBondContact O-N 3.49Å |
| 136 | E | 75.6 | Confident | 88.3 | Confident | 173 Ų | 173 | 65.3 Ų | 65.3 | 81% | 0.808 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 14.4 | -176.8 | -56 | 173.5 | -168.2 | 0 | 0 | 114.7 | F133 I134 | F133-E136 VanDerWaalsContact CZ-CA 3.46Å; F133-E136 HydrophobicContact CZ-CB 4.34Å; F133-E136 WeakPolarHBondContact CZ-O 3.46Å; I134-E136 PolarHBondContact O-N 3.2Å |
| 137 | C | 79.6 | Confident | 88.4 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.6 | 179.6 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | I134 D135 | I134-C137 PolarHBondContact N-O 2.85Å; I134-C137 WeakPolarHBondContact O-CA 3.42Å; I134-C137 WeakPolarHBondContact O-CB 3.35Å; I134-C137 PolarHBondContact O-N 3.03Å; I134-C137 VanDerWaalsContact O-O 3.06Å; D135-C137 PolarHBondContact O-N 3.49Å |
| 138 | E | 87.7 | Confident | 88.4 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.5 | 168.6 | -70.2 | -179 | 144 | 0 | 0 | 110.4 | P130 F133 F140 | P130-E138 HydrophobicContact CB-CB 3.92Å; P130-E138 HydrophobicContact CB-CG 4.37Å; P130-E138 HydrophobicContact CG-CB 4.29Å; P130-E138 HydrophobicContact CG-CG 4.24Å; F133-E138 HydrophobicContact CD2-CG 3.87Å; F133-E138 HydrophobicContact CE2-CG 4.14Å; E138-F140 HydrophobicContact CB-CD2 4.3Å; E138-F140 HydrophobicContact CB-CE2 3.44Å; E138-F140 VanDerWaalsContact CB-CE2 3.44Å; E138-F140 HydrophobicContact CB-CZ 3.73Å; E138-F140 WeakPolarHBondContact O-CD2 3.37Å; E138-F140 WeakPolarHBondContact OE2-CZ 3.17Å |
| 139 | L | 89.2 | Confident | 88.6 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 113.3 | -179.7 | -174.4 | 61.5 | 0 | 0 | 0 | 110.5 | I88 T90 Y97 P130 I131 S132 | I88-L139 HydrophobicContact CD1-CD1 4.01Å; I88-L139 HydrophobicContact CD1-CD2 4.12Å; I88-L139 HydrophobicContact CD1-CG 3.95Å; I88-L139 HydrophobicContact CG1-CD1 4.29Å; I88-L139 HydrophobicContact CG1-CD2 4.39Å; I88-L139 HydrophobicContact CG2-CD2 3.75Å; T90-L139 HydrophobicContact CG2-CD1 4.22Å; T90-L139 HydrophobicContact CG2-CD2 4.07Å; Y97-L139 HydrophobicContact CE2-CD2 3.9Å; Y97-L139 VanDerWaalsContact OH-CD2 3.31Å; Y97-L139 WeakPolarHBondContact OH-CD2 3.43Å; P130-L139 CarbonylContact C-O 3.52Å; P130-L139 VanDerWaalsContact CA-O 3.25Å; P130-L139 WeakPolarHBondContact CA-O 3.38Å; I131-L139 HydrophobicContact CD1-CD2 3.96Å; I131-L139 HydrophobicContact CD1-CG 4.19Å; I131-L139 HydrophobicContact CG1-CB 4.29Å; I131-L139 HydrophobicContact CG1-CD2 4.24Å; I131-L139 HydrophobicContact CG1-CG 4.14Å; I131-L139 VanDerWaalsContact CG1-O 3.32Å; I131-L139 WeakPolarHBondContact CG1-O 3.46Å; I131-L139 PolarHBondContact N-O 3.18Å; S132-L139 WeakPolarHBondContact O-CB 3.25Å; S132-L139 PolarHBondContact O-N 3.1Å |
| 140 | F | 93 | Very high | 88.7 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 26% | 0.259 | 30% | 0.296 | S | S | . | . | trans | -102.2 | 144.7 | 178.6 | -60.2 | -87.6 | 0 | 0 | 0 | 111.5 | G68 R128 P130 E138 I142 | G68-F140 WeakPolarHBondContact CA-O 3.22Å; R128-F140 VanDerWaalsContact O-CE1 3.24Å; R128-F140 WeakPolarHBondContact O-CE1 3.25Å; P130-F140 HydrophobicContact CB-CD1 4.28Å; P130-F140 HydrophobicContact CB-CE1 4.01Å; P130-F140 HydrophobicContact CB-CZ 4.22Å; P130-F140 HydrophobicContact CG-CE1 4.26Å; P130-F140 HydrophobicContact CG-CZ 4.45Å; E138-F140 HydrophobicContact CB-CD2 4.3Å; E138-F140 HydrophobicContact CB-CE2 3.44Å; E138-F140 VanDerWaalsContact CB-CE2 3.44Å; E138-F140 HydrophobicContact CB-CZ 3.73Å; E138-F140 WeakPolarHBondContact O-CD2 3.37Å; E138-F140 WeakPolarHBondContact OE2-CZ 3.17Å; F140-I142 HydrophobicContact CB-CD1 4.18Å; F140-I142 PolarHBondContact O-N 2.94Å | ||
| 141 | L | 94.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | trans | -70.4 | 123.7 | 163.5 | -60 | 179.9 | 0 | 0 | 0 | 108.1 | M10 F70 L86 I88 L121 H124 W125 I131 | M10-L141 HydrophobicContact CE-CB 4.32Å; F70-L141 HydrophobicContact CD1-CB 4.22Å; F70-L141 HydrophobicContact CD1-CD2 3.75Å; F70-L141 HydrophobicContact CD2-CD2 4.32Å; F70-L141 HydrophobicContact CE1-CB 3.85Å; F70-L141 HydrophobicContact CE1-CD2 3.96Å; F70-L141 HydrophobicContact CE1-CG 4.34Å; F70-L141 HydrophobicContact CG-CD2 3.94Å; F70-L141 HydrophobicContact CZ-CD1 4.48Å; F70-L141 HydrophobicContact CZ-CD2 4.33Å; L86-L141 HydrophobicContact CD1-CD2 4.25Å; L86-L141 HydrophobicContact CD2-CD2 4.04Å; I88-L141 HydrophobicContact CD1-CD2 3.88Å; L121-L141 HydrophobicContact CB-CD1 4.11Å; L121-L141 HydrophobicContact CD2-CD1 3.61Å; L121-L141 HydrophobicContact CG-CD1 4.48Å; H124-L141 HydrophobicContact CB-CD1 3.96Å; W125-L141 HydrophobicContact CB-CB 4.15Å; I131-L141 HydrophobicContact CD1-CD2 3.99Å; I131-L141 HydrophobicContact CG2-CD1 4.1Å; I131-L141 HydrophobicContact CG2-CD2 4.17Å; I131-L141 HydrophobicContact CG2-CG 3.85Å | ||
| 142 | I | 93.1 | Very high | 89.2 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 33% | 0.333 | 29% | 0.291 | S | S | . | . | trans | -110.5 | -55.4 | 179.8 | -61.3 | -62.4 | 0 | 0 | 0 | 110.7 | G68 Y69 F140 | G68-I142 PolarHBondContact O-N 2.7Å; Y69-I142 HydrophobicContact CD2-CG2 4.37Å; Y69-I142 HydrophobicContact CE2-CG2 4.11Å; F140-I142 HydrophobicContact CB-CD1 4.18Å; F140-I142 PolarHBondContact O-N 2.94Å | ||
| 143 | K | 94.4 | Very high | 89.6 | Confident | 92 Ų | 92 | 60 Ų | 60 | 40% | 0.4 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 136.2 | -178 | -170.4 | 171.4 | -177.4 | 174.2 | 0 | 111.3 | Y69 F70 | Y69-K143 CarbonylContact C-O 3.58Å; Y69-K143 VanDerWaalsContact CA-O 3.23Å; Y69-K143 WeakPolarHBondContact CA-O 3.22Å; Y69-K143 HydrophobicContact CD1-CB 4.22Å; Y69-K143 HydrophobicContact CD2-CB 4.01Å; Y69-K143 HydrophobicContact CE1-CB 4.06Å; Y69-K143 HydrophobicContact CE1-CD 3.8Å; Y69-K143 HydrophobicContact CE1-CG 4.25Å; Y69-K143 HydrophobicContact CE2-CB 3.8Å; Y69-K143 HydrophobicContact CG-CB 4.21Å; F70-K143 VanDerWaalsContact CD1-O 3.26Å; F70-K143 WeakPolarHBondContact CD1-O 3.43Å; F70-K143 PolarHBondContact N-O 2.76Å |
| 144 | S | 95.6 | Very high | 90.2 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 140.8 | 171.3 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | F70 | F70-S144 CarbonylContact O-C 3.57Å; F70-S144 VanDerWaalsContact O-CA 3.31Å; F70-S144 WeakPolarHBondContact O-CA 3.42Å |
| 145 | V | 96 | Very high | 91.1 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -97.4 | 129.7 | 171.5 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | Y48 H50 I61 L62 Y69 F70 | Y48-V145 WeakPolarHBondContact CA-O 3.49Å; H50-V145 PolarHBondContact NE2-O 3.08Å; H50-V145 VanDerWaalsContact NE2-O 3.1Å; I61-V145 HydrophobicContact CG2-CG1 3.7Å; L62-V145 HydrophobicContact CD2-CB 4.49Å; L62-V145 HydrophobicContact CD2-CG2 3.86Å; Y69-V145 HydrophobicContact CD1-CG2 3.94Å; F70-V145 PolarHBondContact O-N 3.03Å |
| 146 | G | 93.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 57.5 Ų | 57.5 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 168.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N47 H50 Q148 | N47-G146 CarbonylContact O-C 3.54Å; N47-G146 VanDerWaalsContact O-CA 3.25Å; N47-G146 WeakPolarHBondContact O-CA 3.42Å; H50-G146 PolarHBondContact CE1-O 3.3Å; H50-G146 PolarHBondContact NE2-O 3.04Å; G146-Q148 PolarHBondContact O-NE2 3.37Å |
| 147 | R | 93.5 | Very high | 93.4 | Very high | 49 Ų | 49 | 50 Ų | 50 | 19% | 0.185 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -49.6 | 140.5 | 172.6 | -67.6 | -174.3 | -172.4 | -174.1 | -1.7 | 112.8 | N47 Y49 H50 E153 | N47-R147 PolarHBondContact O-N 3.08Å; Y49-R147 PolarHBondContact O-NE 3.22Å; H50-R147 VanDerWaalsContact CE1-CA 3.44Å; H50-R147 WeakPolarHBondContact CE1-CA 3.3Å; H50-R147 PolarHBondContact CE1-N 2.75Å; R147-E153 IonicContact CZ-OE1 3.23Å; R147-E153 VanDerWaalsContact CZ-OE1 3.23Å; R147-E153 IonicContact NH1-OE1 3.36Å; R147-E153 PolarHBondContact NH1-OE1 3.29Å; R147-E153 IonicContact NH2-OE1 2.94Å; R147-E153 PolarHBondContact NH2-OE1 2.63Å |
| 148 | Q | 94.6 | Very high | 94.2 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 153.1 | 177.2 | -53.4 | -57.2 | -62.4 | 0 | 0 | 110.7 | I61 G146 W150 E151 | I61-Q148 HydrophobicContact CD1-CG 3.55Å; I61-Q148 HydrophobicContact CG1-CG 3.83Å; G146-Q148 PolarHBondContact O-NE2 3.37Å; Q148-W150 HydrophobicContact CB-CD2 3.78Å; Q148-W150 HydrophobicContact CB-CE3 4.5Å; Q148-W150 HydrophobicContact CB-CG 4.11Å; Q148-W150 HydrophobicContact CB-CH2 4.41Å; Q148-W150 HydrophobicContact CB-CZ2 3.7Å; Q148-W150 VanDerWaalsContact CB-NE1 3.35Å; Q148-W150 HydrophobicContact CG-CH2 4.27Å; Q148-W150 HydrophobicContact CG-CZ2 3.54Å; Q148-W150 PolarHBondContact O-N 2.89Å; Q148-E151 HydrophobicContact CB-CG 4.2Å; Q148-E151 WeakPolarHBondContact CB-OE1 3.27Å; Q148-E151 VanDerWaalsContact CG-OE1 3.28Å; Q148-E151 WeakPolarHBondContact CG-OE1 3.28Å; Q148-E151 PolarHBondContact N-OE1 3.05Å; Q148-E151 WeakPolarHBondContact O-CB 3.49Å; Q148-E151 PolarHBondContact O-N 2.97Å |
| 149 | H | 94.4 | Very high | 94.6 | Very high | 138 Ų | 138 | 49.7 Ų | 49.7 | 64% | 0.639 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -10.4 | -179.3 | 65 | -87.9 | 0 | 0 | 0 | 115.2 | F152 | H149-F152 WeakPolarHBondContact O-CZ 3.44Š|
| 150 | W | 95.6 | Very high | 94.9 | Very high | 28 Ų | 28 | 53.4 Ų | 53.4 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 0.5 | 178.3 | 51.8 | -108.4 | 0 | 0 | 0 | 112.7 | L53 D57 I61 Q148 F152 Y222 G223 V224 | L53-W150 HydrophobicContact CD1-CH2 3.67Å; L53-W150 HydrophobicContact CD1-CZ3 3.96Å; D57-W150 HydrophobicContact CB-CH2 4.08Å; I61-W150 HydrophobicContact CD1-CH2 3.92Å; I61-W150 HydrophobicContact CD1-CZ2 3.85Å; I61-W150 HydrophobicContact CG1-CZ2 4.05Å; Q148-W150 HydrophobicContact CB-CD2 3.78Å; Q148-W150 HydrophobicContact CB-CE3 4.5Å; Q148-W150 HydrophobicContact CB-CG 4.11Å; Q148-W150 HydrophobicContact CB-CH2 4.41Å; Q148-W150 HydrophobicContact CB-CZ2 3.7Å; Q148-W150 VanDerWaalsContact CB-NE1 3.35Å; Q148-W150 HydrophobicContact CG-CH2 4.27Å; Q148-W150 HydrophobicContact CG-CZ2 3.54Å; Q148-W150 PolarHBondContact O-N 2.89Å; W150-F152 WeakPolarHBondContact O-CD2 3.16Å; W150-Y222 WeakPolarHBondContact CB-O 3.35Å; W150-G223 CarbonylContact O-C 3.49Å; W150-G223 WeakPolarHBondContact O-CA 3.38Å; W150-V224 HydrophobicContact CE3-CG2 4.2Å; W150-V224 HydrophobicContact CZ3-CG2 4.21Å; W150-V224 PolarHBondContact O-N 3.37Å |
| 151 | E | 95.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 113.7 | 173.7 | -66.9 | 178.6 | -103.2 | 0 | 0 | 109.1 | H50 Q148 I226 | H50-E151 WeakPolarHBondContact CB-OE2 3.49Å; H50-E151 IonicContact CE1-OE1 3.35Å; H50-E151 PolarHBondContact CE1-OE1 3.26Å; H50-E151 IonicContact CG-OE2 3.48Å; H50-E151 VanDerWaalsContact ND1-CD 3.26Å; H50-E151 IonicContact ND1-OE1 2.81Å; H50-E151 PolarHBondContact ND1-OE1 3.42Å; H50-E151 IonicContact ND1-OE2 2.91Å; H50-E151 PolarHBondContact ND1-OE2 3.12Å; Q148-E151 HydrophobicContact CB-CG 4.2Å; Q148-E151 WeakPolarHBondContact CB-OE1 3.27Å; Q148-E151 VanDerWaalsContact CG-OE1 3.28Å; Q148-E151 WeakPolarHBondContact CG-OE1 3.28Å; Q148-E151 PolarHBondContact N-OE1 3.05Å; Q148-E151 WeakPolarHBondContact O-CB 3.49Å; Q148-E151 PolarHBondContact O-N 2.97Å; E151-I226 HydrophobicContact CB-CD1 3.93Å; E151-I226 HydrophobicContact CB-CG1 4.44Å; E151-I226 HydrophobicContact CB-CG2 4.37Å; E151-I226 HydrophobicContact CG-CG2 4.32Å |
| 152 | F | 96 | Very high | 94.8 | Very high | 15 Ų | 15 | 65.9 Ų | 65.9 | 7% | 0.066 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 152.1 | -178.9 | -62.8 | -81.8 | 0 | 0 | 0 | 111.6 | H149 W150 I177 I179 V224 T225 I226 L234 | H149-F152 WeakPolarHBondContact O-CZ 3.44Å; W150-F152 WeakPolarHBondContact O-CD2 3.16Å; F152-I177 HydrophobicContact CB-CD1 4.28Å; F152-I177 HydrophobicContact CD1-CD1 3.36Å; F152-I177 HydrophobicContact CD2-CD1 4.42Å; F152-I177 HydrophobicContact CE1-CD1 3.67Å; F152-I177 HydrophobicContact CG-CD1 3.76Å; F152-I177 HydrophobicContact CZ-CD1 4.33Å; F152-I179 HydrophobicContact CE1-CD1 4.26Å; F152-I179 HydrophobicContact CE1-CG1 4.07Å; F152-I179 HydrophobicContact CZ-CD1 3.89Å; F152-I179 HydrophobicContact CZ-CG1 4.2Å; F152-V224 PolarHBondContact N-O 3.26Å; F152-T225 HydrophobicContact CB-CG2 4.24Å; F152-T225 CarbonylContact O-C 3.55Å; F152-T225 WeakPolarHBondContact O-CA 3.45Å; F152-I226 WeakPolarHBondContact O-CG1 3.38Å; F152-I226 PolarHBondContact O-N 2.89Å; F152-L234 HydrophobicContact CB-CD1 4.14Å; F152-L234 HydrophobicContact CD2-CD1 3.6Å; F152-L234 HydrophobicContact CE2-CD1 4.19Å; F152-L234 HydrophobicContact CG-CD1 3.93Å |
| 153 | E | 93.8 | Very high | 94.8 | Very high | 54 Ų | 54 | 65 Ų | 65 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | trans | -81.7 | 146.7 | 167.2 | -58.7 | -74.8 | -174.6 | 0 | 0 | 110.4 | R147 A155 E156 S227 | R147-E153 IonicContact CZ-OE1 3.23Å; R147-E153 VanDerWaalsContact CZ-OE1 3.23Å; R147-E153 IonicContact NH1-OE1 3.36Å; R147-E153 PolarHBondContact NH1-OE1 3.29Å; R147-E153 IonicContact NH2-OE1 2.94Å; R147-E153 PolarHBondContact NH2-OE1 2.63Å; E153-A155 PolarHBondContact O-N 2.96Å; E153-A155 VanDerWaalsContact O-N 3.16Å; E153-E156 HydrophobicContact CB-CG 4.18Å; E153-E156 PolarHBondContact N-OE1 2.96Å; E153-E156 WeakPolarHBondContact O-CB 3.18Å; E153-E156 PolarHBondContact O-N 2.74Å; E153-S227 WeakPolarHBondContact CA-OG 3.33Å; E153-S227 VanDerWaalsContact OE2-CB 3.3Å; E153-S227 WeakPolarHBondContact OE2-CB 3.36Å; E153-S227 PolarHBondContact OE2-OG 3.34Å | ||
| 154 | D | 94.2 | Very high | 94.6 | Very high | 36 Ų | 36 | 65 Ų | 65 | 19% | 0.193 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -54.9 | -36.4 | 176.9 | -68.6 | -22.9 | 0 | 0 | 0 | 111.3 | E156 V157 T225 S227 S228 M232 | D154-E156 PolarHBondContact O-N 3.36Å; D154-V157 PolarHBondContact O-N 3.19Å; D154-V157 VanDerWaalsContact O-N 3.14Å; D154-T225 WeakPolarHBondContact OD1-CB 3.39Å; D154-T225 PolarHBondContact OD1-OG1 2.78Å; D154-S227 PolarHBondContact N-OG 2.82Å; D154-S228 WeakPolarHBondContact OD2-CB 3.3Å; D154-S228 PolarHBondContact OD2-N 2.87Å; D154-S228 PolarHBondContact OD2-OG 2.88Å; D154-M232 HydrophobicContact CB-CE 3.94Å; D154-M232 WeakPolarHBondContact OD1-CE 3.19Å |
| 155 | A | 93.9 | Very high | 94.1 | Very high | 97 Ų | 97 | 65.9 Ų | 65.9 | 80% | 0.802 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -69.1 | -11.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E153 | E153-A155 PolarHBondContact O-N 2.96Å; E153-A155 VanDerWaalsContact O-N 3.16Å |
| 156 | E | 95.2 | Very high | 93.3 | Very high | 75 Ų | 75 | 71.1 Ų | 71.1 | 35% | 0.35 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -82.5 | -18.8 | 174 | -64.3 | 178.7 | -101.7 | 0 | 0 | 112.2 | E153 D154 I177 | E153-E156 HydrophobicContact CB-CG 4.18Å; E153-E156 PolarHBondContact N-OE1 2.96Å; E153-E156 WeakPolarHBondContact O-CB 3.18Å; E153-E156 PolarHBondContact O-N 2.74Å; D154-E156 PolarHBondContact O-N 3.36Å; E156-I177 HydrophobicContact CB-CD1 4.14Å; E156-I177 HydrophobicContact CB-CG1 4.35Å |
| 157 | V | 97.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 72.2 Ų | 72.2 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | trans | -95 | 117.1 | -176.6 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | D154 L159 I177 L186 V188 T225 M232 L234 | D154-V157 PolarHBondContact O-N 3.19Å; D154-V157 VanDerWaalsContact O-N 3.14Å; V157-L159 HydrophobicContact CG1-CD1 4.2Å; V157-I177 HydrophobicContact CG2-CD1 4.24Å; V157-L186 HydrophobicContact CG1-CD1 4.35Å; V157-V188 HydrophobicContact CG1-CG2 4.23Å; V157-T225 HydrophobicContact CG2-CG2 3.67Å; V157-M232 HydrophobicContact CB-CE 4.29Å; V157-M232 HydrophobicContact CG1-SD 4.29Å; V157-M232 HydrophobicContact CG2-CE 4.45Å; V157-L234 HydrophobicContact CG1-CD2 4.27Å; V157-L234 HydrophobicContact CG2-CD1 3.87Å; V157-L234 HydrophobicContact CG2-CD2 3.79Å | ||
| 158 | N | 97.3 | Very high | 90.9 | Very high | 103 Ų | 103 | 77.6 Ų | 77.6 | 55% | 0.551 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 103.3 | 170.1 | -59.2 | -72 | 0 | 0 | 0 | 108.6 | G175 T176 | N158-G175 CarbonylContact O-C 3.53Å; N158-G175 WeakPolarHBondContact O-CA 2.96Å; N158-T176 PolarHBondContact N-O 3.26Å; N158-T176 PolarHBondContact O-N 3.49Å |
| 159 | L | 95.2 | Very high | 89.7 | Confident | 72 Ų | 72 | 82.8 Ų | 82.8 | 38% | 0.377 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 138.9 | -178.6 | -149.9 | 77.9 | 0 | 0 | 0 | 111.3 | V157 Y173 V188 M232 | V157-L159 HydrophobicContact CG1-CD1 4.2Å; L159-Y173 HydrophobicContact CD1-CG 4.48Å; L159-Y173 HydrophobicContact CD2-CD1 4.18Å; L159-Y173 HydrophobicContact CD2-CD2 4.05Å; L159-Y173 HydrophobicContact CD2-CG 3.79Å; L159-Y173 HydrophobicContact CG-CG 4.14Å; L159-V188 HydrophobicContact CD1-CB 3.51Å; L159-V188 HydrophobicContact CD1-CG1 3.6Å; L159-V188 HydrophobicContact CD1-CG2 3.63Å; L159-M232 HydrophobicContact CD1-SD 4.46Å |
| 160 | E | 96.3 | Very high | 89.2 | Confident | 89 Ų | 89 | 76.8 Ų | 76.8 | 42% | 0.416 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 157 | 165.6 | -65.2 | -175.5 | -163.6 | 0 | 0 | 110.6 | R174 | E160-R174 HydrophobicContact CB-CB 4.4Å; E160-R174 WeakPolarHBondContact CB-O 3.46Å; E160-R174 HydrophobicContact CG-CB 4.21Å; E160-R174 PolarHBondContact N-O 2.91Å; E160-R174 VanDerWaalsContact OE1-CD 3.26Å; E160-R174 WeakPolarHBondContact OE1-CD 3.4Å; E160-R174 WeakPolarHBondContact OE1-CG 3.14Å; E160-R174 IonicContact OE1-NE 3.77Å |
| 161 | K | 92.1 | Very high | 88.9 | Confident | 193 Ų | 193 | 75.5 Ų | 75.5 | 84% | 0.839 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -42 | -173.6 | -69.4 | -176.6 | 178.3 | -178.9 | 0 | 113.1 | ||
| 162 | D | 93.6 | Very high | 88.8 | Confident | 130 Ų | 130 | 77.2 Ų | 77.2 | 70% | 0.695 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 136 | -173.4 | -59.9 | -43.6 | 0 | 0 | 0 | 110.1 | ||
| 163 | P | 92.9 | Very high | 88.8 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 31% | 0.305 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 143.7 | 178.2 | 28.9 | -32.5 | 0 | 0 | 0 | 111.1 | E166 A171 V172 Y173 | P163-E166 HydrophobicContact CB-CG 4.06Å; P163-E166 HydrophobicContact CG-CG 3.88Å; P163-E166 WeakPolarHBondContact CG-OE1 3.48Å; P163-A171 HydrophobicContact CB-CB 4.36Å; P163-V172 CarbonylContact C-O 3.56Å; P163-V172 WeakPolarHBondContact CA-O 3.38Å; P163-Y173 HydrophobicContact CB-CD1 4.07Å; P163-Y173 HydrophobicContact CB-CE1 3.74Å; P163-Y173 HydrophobicContact CG-CE1 4.3Å |
| 164 | L | 89.2 | Confident | 89 | Confident | 91 Ų | 91 | 80 Ų | 80 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | -28.9 | 167.2 | -65 | 173.4 | 0 | 0 | 0 | 111.5 | V172 R174 Y237 | L164-V172 WeakPolarHBondContact CB-O 3.46Å; L164-V172 HydrophobicContact CD1-CG1 4.37Å; L164-V172 PolarHBondContact N-O 2.47Å; L164-R174 HydrophobicContact CD1-CB 3.99Å; L164-R174 HydrophobicContact CD2-CB 4.13Å; L164-R174 HydrophobicContact CG-CB 4.1Å; L164-Y237 HydrophobicContact CD1-CD2 4.11Å; L164-Y237 HydrophobicContact CD1-CE2 3.76Å; L164-Y237 HydrophobicContact CD2-CE2 4.44Å |
| 165 | G | 84.8 | Confident | 89.1 | Confident | 36 Ų | 36 | 78.3 Ų | 78.3 | 37% | 0.371 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | 154.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V172 | G165-V172 PolarHBondContact N-O 2.78Å; G165-V172 PolarHBondContact O-N 2.96Å |
| 166 | E | 80.7 | Confident | 89.3 | Confident | 135 Ų | 135 | 74.6 Ų | 74.6 | 63% | 0.631 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.5 | 178.6 | -61.9 | -175.8 | 164.5 | 0 | 0 | 109.7 | P163 A171 | P163-E166 HydrophobicContact CB-CG 4.06Å; P163-E166 HydrophobicContact CG-CG 3.88Å; P163-E166 WeakPolarHBondContact CG-OE1 3.48Å; E166-A171 HydrophobicContact CG-CB 4.1Å |
| 167 | G | 69.2 | Low | 89.5 | Confident | 45 Ų | 45 | 71.1 Ų | 71.1 | 46% | 0.464 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 178 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F169 G170 | G167-F169 PolarHBondContact O-N 2.64Å; G167-G170 PolarHBondContact N-O 2.72Å; G167-G170 PolarHBondContact O-N 3.09Å; G167-G170 VanDerWaalsContact O-N 3.14Å; G167-G170 VanDerWaalsContact O-O 3.06Å |
| 168 | N | 67.5 | Low | 89.4 | Confident | 161 Ų | 161 | 73.4 Ų | 73.4 | 86% | 0.861 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.4 | -174.7 | -69.2 | -14.8 | 0 | 0 | 0 | 114.5 | ||
| 169 | F | 68.1 | Low | 89.2 | Confident | 165 Ų | 165 | 70.5 Ų | 70.5 | 72% | 0.724 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -8.7 | -175.3 | -57 | -76.4 | 0 | 0 | 0 | 113.3 | G167 | G167-F169 PolarHBondContact O-N 2.64Š|
| 170 | G | 84.1 | Confident | 89 | Confident | 12 Ų | 12 | 76.3 Ų | 76.3 | 12% | 0.124 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.6 | -160.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G167 T190 | G167-G170 PolarHBondContact N-O 2.72Å; G167-G170 PolarHBondContact O-N 3.09Å; G167-G170 VanDerWaalsContact O-N 3.14Å; G167-G170 VanDerWaalsContact O-O 3.06Å; G170-T190 WeakPolarHBondContact CA-O 3.4Å |
| 171 | A | 91 | Very high | 88.8 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 2% | 0.017 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 157.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P163 E166 Y173 T190 | P163-A171 HydrophobicContact CB-CB 4.36Å; E166-A171 HydrophobicContact CG-CB 4.1Å; A171-Y173 HydrophobicContact CB-CD2 4.31Å; A171-Y173 HydrophobicContact CB-CE2 3.52Å; A171-T190 PolarHBondContact N-O 3.12Å; A171-T190 PolarHBondContact O-N 3.27Å; A171-T190 PolarHBondContact O-OG1 2.85Å |
| 172 | V | 93.1 | Very high | 89 | Confident | 47 Ų | 47 | 73.8 Ų | 73.8 | 29% | 0.285 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.4 | 172.6 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | P163 L164 G165 A187 V188 K189 | P163-V172 CarbonylContact C-O 3.56Å; P163-V172 WeakPolarHBondContact CA-O 3.38Å; L164-V172 WeakPolarHBondContact CB-O 3.46Å; L164-V172 HydrophobicContact CD1-CG1 4.37Å; L164-V172 PolarHBondContact N-O 2.47Å; G165-V172 PolarHBondContact N-O 2.78Å; G165-V172 PolarHBondContact O-N 2.96Å; V172-A187 HydrophobicContact CG1-CB 4.03Å; V172-V188 CarbonylContact C-O 3.53Å; V172-V188 VanDerWaalsContact CA-O 3.32Å; V172-V188 WeakPolarHBondContact CA-O 3.47Å; V172-K189 HydrophobicContact CG2-CB 4.43Å; V172-K189 HydrophobicContact CG2-CG 4.29Å |
| 173 | Y | 95.8 | Very high | 89.2 | Confident | 49 Ų | 49 | 74.3 Ų | 74.3 | 19% | 0.192 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 154.8 | 178.6 | -63.7 | -93.6 | 0 | 0 | 0 | 110.4 | L159 P163 A171 A187 V188 T190 | L159-Y173 HydrophobicContact CD1-CG 4.48Å; L159-Y173 HydrophobicContact CD2-CD1 4.18Å; L159-Y173 HydrophobicContact CD2-CD2 4.05Å; L159-Y173 HydrophobicContact CD2-CG 3.79Å; L159-Y173 HydrophobicContact CG-CG 4.14Å; P163-Y173 HydrophobicContact CB-CD1 4.07Å; P163-Y173 HydrophobicContact CB-CE1 3.74Å; P163-Y173 HydrophobicContact CG-CE1 4.3Å; A171-Y173 HydrophobicContact CB-CD2 4.31Å; A171-Y173 HydrophobicContact CB-CE2 3.52Å; Y173-A187 CarbonylContact O-C 3.58Å; Y173-A187 WeakPolarHBondContact O-CA 3.3Å; Y173-V188 PolarHBondContact N-O 3.11Å; Y173-V188 PolarHBondContact O-N 3.37Å; Y173-T190 HydrophobicContact CD2-CG2 4.19Å; Y173-T190 HydrophobicContact CE2-CG2 4.37Å |
| 174 | R | 96.9 | Very high | 89.4 | Confident | 79 Ų | 79 | 74.6 Ų | 74.6 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 146.5 | 162.8 | -170.4 | 169.2 | 177.6 | -170 | -2.4 | 109 | E160 L164 E185 L186 Y237 | E160-R174 HydrophobicContact CB-CB 4.4Å; E160-R174 WeakPolarHBondContact CB-O 3.46Å; E160-R174 HydrophobicContact CG-CB 4.21Å; E160-R174 PolarHBondContact N-O 2.91Å; E160-R174 VanDerWaalsContact OE1-CD 3.26Å; E160-R174 WeakPolarHBondContact OE1-CD 3.4Å; E160-R174 WeakPolarHBondContact OE1-CG 3.14Å; E160-R174 IonicContact OE1-NE 3.77Å; L164-R174 HydrophobicContact CD1-CB 3.99Å; L164-R174 HydrophobicContact CD2-CB 4.13Å; L164-R174 HydrophobicContact CG-CB 4.1Å; R174-E185 IonicContact CZ-OE2 2.96Å; R174-E185 IonicContact NE-OE2 2.87Å; R174-E185 PolarHBondContact NE-OE2 3.26Å; R174-E185 IonicContact NH2-OE2 2.69Å; R174-E185 PolarHBondContact NH2-OE2 2.99Å; R174-L186 WeakPolarHBondContact CA-O 3.4Å; R174-Y237 HydrophobicContact CG-CD2 4.41Å; R174-Y237 HydrophobicContact CG-CE2 4.46Å |
| 175 | G | 97.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | -177 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N158 L186 | N158-G175 CarbonylContact O-C 3.53Å; N158-G175 WeakPolarHBondContact O-CA 2.96Å; G175-L186 PolarHBondContact N-O 2.86Å; G175-L186 WeakPolarHBondContact O-CB 3.45Å; G175-L186 PolarHBondContact O-N 2.69Å |
| 176 | T | 98.3 | Very high | 90.4 | Very high | 20 Ų | 20 | 71.6 Ų | 71.6 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 149.1 | 178.8 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | N158 K183 M184 E185 | N158-T176 PolarHBondContact N-O 3.26Å; N158-T176 PolarHBondContact O-N 3.49Å; T176-K183 VanDerWaalsContact CB-CE 3.42Å; T176-K183 WeakPolarHBondContact OG1-CE 3.41Å; T176-M184 WeakPolarHBondContact CA-O 3.21Å; T176-E185 WeakPolarHBondContact CG2-OE1 3.49Å |
| 177 | I | 97.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 150.2 | 176.7 | -171 | 162.2 | 0 | 0 | 0 | 110.2 | F152 E156 V157 I179 K183 M184 L186 L234 | F152-I177 HydrophobicContact CB-CD1 4.28Å; F152-I177 HydrophobicContact CD1-CD1 3.36Å; F152-I177 HydrophobicContact CD2-CD1 4.42Å; F152-I177 HydrophobicContact CE1-CD1 3.67Å; F152-I177 HydrophobicContact CG-CD1 3.76Å; F152-I177 HydrophobicContact CZ-CD1 4.33Å; E156-I177 HydrophobicContact CB-CD1 4.14Å; E156-I177 HydrophobicContact CB-CG1 4.35Å; V157-I177 HydrophobicContact CG2-CD1 4.24Å; I177-I179 HydrophobicContact CG1-CG1 4.36Å; I177-I179 HydrophobicContact CG2-CD1 3.96Å; I177-I179 HydrophobicContact CG2-CG1 4.01Å; I177-K183 WeakPolarHBondContact O-CA 3.39Å; I177-M184 HydrophobicContact CG2-CB 4.01Å; I177-M184 PolarHBondContact N-O 3.47Å; I177-M184 PolarHBondContact O-N 3.28Å; I177-L186 HydrophobicContact CB-CD1 3.78Å; I177-L186 HydrophobicContact CB-CG 4.48Å; I177-L186 HydrophobicContact CG2-CD1 3.59Å; I177-L186 HydrophobicContact CG2-CD2 3.84Å; I177-L186 HydrophobicContact CG2-CG 3.88Å; I177-L234 HydrophobicContact CD1-CD1 3.8Å |
| 178 | A | 96.7 | Very high | 92.5 | Very high | 64 Ų | 64 | 63.7 Ų | 63.7 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 110.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | K182 | A178-K182 CarbonylContact C-O 3.53Å; A178-K182 WeakPolarHBondContact CA-O 2.74Å |
| 179 | I | 93.4 | Very high | 93.7 | Very high | 41 Ų | 41 | 58.1 Ų | 58.1 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.5 | 176 | -60.8 | 174.8 | 0 | 0 | 0 | 107.9 | F152 I177 G181 K182 M184 Y222 | F152-I179 HydrophobicContact CE1-CD1 4.26Å; F152-I179 HydrophobicContact CE1-CG1 4.07Å; F152-I179 HydrophobicContact CZ-CD1 3.89Å; F152-I179 HydrophobicContact CZ-CG1 4.2Å; I177-I179 HydrophobicContact CG1-CG1 4.36Å; I177-I179 HydrophobicContact CG2-CD1 3.96Å; I177-I179 HydrophobicContact CG2-CG1 4.01Å; I179-G181 PolarHBondContact O-N 3.46Å; I179-K182 PolarHBondContact N-O 3.38Å; I179-K182 PolarHBondContact O-N 2.85Å; I179-M184 HydrophobicContact CB-CG 4.26Å; I179-M184 HydrophobicContact CD1-CG 4.15Å; I179-M184 HydrophobicContact CG1-CG 4.33Å; I179-Y222 HydrophobicContact CD1-CD1 3.53Å; I179-Y222 HydrophobicContact CD1-CE1 4.21Å; I179-Y222 HydrophobicContact CD1-CG 4.04Å |
| 180 | Q | 91 | Very high | 94.9 | Very high | 195 Ų | 195 | 51.4 Ų | 51.4 | 91% | 0.911 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 39.9 | -179.2 | -59.8 | 176 | -15.4 | 0 | 0 | 112.9 | K182 | Q180-K182 PolarHBondContact O-N 2.88Š|
| 181 | G | 91.4 | Very high | 95.2 | Very high | 77 Ų | 77 | 52 Ų | 52 | 79% | 0.794 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | -2.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I179 | I179-G181 PolarHBondContact O-N 3.46Š|
| 182 | K | 96.3 | Very high | 94.9 | Very high | 151 Ų | 151 | 57.9 Ų | 57.9 | 66% | 0.657 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.9 | 175.3 | -64.3 | -176.6 | -179.1 | 179.5 | 0 | 110.2 | A178 I179 Q180 M184 | A178-K182 CarbonylContact C-O 3.53Å; A178-K182 WeakPolarHBondContact CA-O 2.74Å; I179-K182 PolarHBondContact N-O 3.38Å; I179-K182 PolarHBondContact O-N 2.85Å; Q180-K182 PolarHBondContact O-N 2.88Å; K182-M184 HydrophobicContact CB-SD 4.21Å; K182-M184 PolarHBondContact O-N 2.93Å |
| 183 | K | 96.9 | Very high | 94.6 | Very high | 142 Ų | 142 | 59.5 Ų | 59.5 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 121.8 | 171.8 | -172.6 | -176 | 176.8 | -163.6 | 0 | 109 | T176 I177 E185 | T176-K183 VanDerWaalsContact CB-CE 3.42Å; T176-K183 WeakPolarHBondContact OG1-CE 3.41Å; I177-K183 WeakPolarHBondContact O-CA 3.39Å; K183-E185 WeakPolarHBondContact CE-OE1 3.29Å; K183-E185 IonicContact NZ-OE1 3.68Å; K183-E185 PolarHBondContact NZ-OE1 2.58Å |
| 184 | M | 97.3 | Very high | 94.2 | Very high | 53 Ų | 53 | 59.8 Ų | 59.8 | 26% | 0.261 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.4 | 175.6 | -53 | -52.5 | -63.8 | 0 | 0 | 109.1 | T176 I177 I179 K182 Y222 | T176-M184 WeakPolarHBondContact CA-O 3.21Å; I177-M184 HydrophobicContact CG2-CB 4.01Å; I177-M184 PolarHBondContact N-O 3.47Å; I177-M184 PolarHBondContact O-N 3.28Å; I179-M184 HydrophobicContact CB-CG 4.26Å; I179-M184 HydrophobicContact CD1-CG 4.15Å; I179-M184 HydrophobicContact CG1-CG 4.33Å; K182-M184 HydrophobicContact CB-SD 4.21Å; K182-M184 PolarHBondContact O-N 2.93Å; M184-Y222 HydrophobicContact CB-CE1 4.47Å; M184-Y222 HydrophobicContact CE-CE1 3.91Å; M184-Y222 WeakPolarHBondContact CE-OH 3.14Å; M184-Y222 HydrophobicContact CG-CE1 4.27Å |
| 185 | E | 97.7 | Very high | 93.6 | Very high | 63 Ų | 63 | 61.4 Ų | 61.4 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 136.5 | 173 | -61.5 | -76.8 | 125.3 | 0 | 0 | 109.5 | R174 T176 K183 Y237 | R174-E185 IonicContact CZ-OE2 2.96Å; R174-E185 IonicContact NE-OE2 2.87Å; R174-E185 PolarHBondContact NE-OE2 3.26Å; R174-E185 IonicContact NH2-OE2 2.69Å; R174-E185 PolarHBondContact NH2-OE2 2.99Å; T176-E185 WeakPolarHBondContact CG2-OE1 3.49Å; K183-E185 WeakPolarHBondContact CE-OE1 3.29Å; K183-E185 IonicContact NZ-OE1 3.68Å; K183-E185 PolarHBondContact NZ-OE1 2.58Å; E185-Y237 PolarHBondContact O-N 3.4Å |
| 186 | L | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.7 | -171.1 | -60.4 | 179.7 | 0 | 0 | 0 | 112.7 | V157 R174 G175 I177 V188 Y222 L234 L235 | V157-L186 HydrophobicContact CG1-CD1 4.35Å; R174-L186 WeakPolarHBondContact CA-O 3.4Å; G175-L186 PolarHBondContact N-O 2.86Å; G175-L186 WeakPolarHBondContact O-CB 3.45Å; G175-L186 PolarHBondContact O-N 2.69Å; I177-L186 HydrophobicContact CB-CD1 3.78Å; I177-L186 HydrophobicContact CB-CG 4.48Å; I177-L186 HydrophobicContact CG2-CD1 3.59Å; I177-L186 HydrophobicContact CG2-CD2 3.84Å; I177-L186 HydrophobicContact CG2-CG 3.88Å; L186-V188 HydrophobicContact CB-CG2 3.68Å; L186-V188 HydrophobicContact CD1-CG2 4.01Å; L186-Y222 HydrophobicContact CD2-CD2 3.33Å; L186-Y222 HydrophobicContact CD2-CE2 3.57Å; L186-Y222 HydrophobicContact CD2-CG 4.25Å; L186-L234 HydrophobicContact CD1-CB 4.21Å; L186-L234 HydrophobicContact CD1-CD1 4.43Å; L186-L234 HydrophobicContact CD1-CD2 4.17Å; L186-L234 HydrophobicContact CD1-CG 4.5Å; L186-L234 HydrophobicContact CD2-CB 4.25Å; L186-L235 CarbonylContact C-O 3.6Å; L186-L235 WeakPolarHBondContact CA-O 3.28Å; L186-L235 WeakPolarHBondContact CD2-O 3.47Å |
| 187 | A | 96.5 | Very high | 92.5 | Very high | 14 Ų | 14 | 66.5 Ų | 66.5 | 12% | 0.116 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | V172 Y173 L235 Y237 | V172-A187 HydrophobicContact CG1-CB 4.03Å; Y173-A187 CarbonylContact O-C 3.58Å; Y173-A187 WeakPolarHBondContact O-CA 3.3Å; A187-L235 HydrophobicContact CB-CB 4.41Å; A187-L235 PolarHBondContact N-O 2.88Å; A187-L235 WeakPolarHBondContact O-CA 3.32Å; A187-L235 VanDerWaalsContact O-CB 3.3Å; A187-L235 WeakPolarHBondContact O-CB 3.4Å; A187-L235 PolarHBondContact O-N 3.43Å; A187-Y237 HydrophobicContact CB-CD2 4.43Å |
| 188 | V | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 111.4 | -171.4 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | V157 L159 V172 Y173 L186 T190 M232 V233 L234 | V157-V188 HydrophobicContact CG1-CG2 4.23Å; L159-V188 HydrophobicContact CD1-CB 3.51Å; L159-V188 HydrophobicContact CD1-CG1 3.6Å; L159-V188 HydrophobicContact CD1-CG2 3.63Å; V172-V188 CarbonylContact C-O 3.53Å; V172-V188 VanDerWaalsContact CA-O 3.32Å; V172-V188 WeakPolarHBondContact CA-O 3.47Å; Y173-V188 PolarHBondContact N-O 3.11Å; Y173-V188 PolarHBondContact O-N 3.37Å; L186-V188 HydrophobicContact CB-CG2 3.68Å; L186-V188 HydrophobicContact CD1-CG2 4.01Å; V188-T190 HydrophobicContact CG1-CG2 4.18Å; V188-M232 HydrophobicContact CG1-CB 3.68Å; V188-M232 HydrophobicContact CG1-CG 4.05Å; V188-M232 HydrophobicContact CG1-SD 3.85Å; V188-V233 WeakPolarHBondContact CA-O 3.4Å; V188-L234 HydrophobicContact CG1-CD2 4.02Å; V188-L234 HydrophobicContact CG2-CD2 4.15Å |
| 189 | K | 93.7 | Very high | 91.5 | Very high | 44 Ų | 44 | 70 Ų | 70 | 19% | 0.191 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128.8 | 179 | -168.8 | 175.8 | -172.9 | 176.5 | 0 | 109.6 | V172 L203 E206 V233 D306 | V172-K189 HydrophobicContact CG2-CB 4.43Å; V172-K189 HydrophobicContact CG2-CG 4.29Å; K189-L203 HydrophobicContact CB-CD1 4.28Å; K189-L203 HydrophobicContact CD-CD1 3.75Å; K189-L203 HydrophobicContact CG-CD1 3.79Å; K189-E206 IonicContact NZ-OE1 3.92Å; K189-E206 PolarHBondContact NZ-OE1 3.47Å; K189-E206 IonicContact NZ-OE2 2.72Å; K189-E206 PolarHBondContact NZ-OE2 3.39Å; K189-V233 HydrophobicContact CB-CB 4.29Å; K189-V233 PolarHBondContact N-O 3.33Å; K189-V233 PolarHBondContact O-N 2.68Å; K189-D306 IonicContact NZ-OD1 2.64Å |
| 190 | T | 92.8 | Very high | 91.4 | Very high | 24 Ų | 24 | 69 Ų | 69 | 15% | 0.147 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 165.2 | -179.3 | 69.2 | 0 | 0 | 0 | 0 | 110.7 | G170 A171 Y173 V188 M232 | G170-T190 WeakPolarHBondContact CA-O 3.4Å; A171-T190 PolarHBondContact N-O 3.12Å; A171-T190 PolarHBondContact O-N 3.27Å; A171-T190 PolarHBondContact O-OG1 2.85Å; Y173-T190 HydrophobicContact CD2-CG2 4.19Å; Y173-T190 HydrophobicContact CE2-CG2 4.37Å; V188-T190 HydrophobicContact CG1-CG2 4.18Å; T190-M232 HydrophobicContact CG2-CG 4.01Å |
| 191 | L | 90.2 | Very high | 91.3 | Very high | 25 Ų | 25 | 62.3 Ų | 62.3 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 149.1 | 169.7 | -61.5 | 173.3 | 0 | 0 | 0 | 110.9 | N193 R200 L203 | L191-N193 VanDerWaalsContact C-N 3.31Å; L191-R200 HydrophobicContact CD1-CB 3.83Å; L191-R200 HydrophobicContact CD1-CG 4.46Å; L191-L203 HydrophobicContact CD2-CB 4.15Å; L191-L203 HydrophobicContact CD2-CD2 4.1Å; L191-L203 HydrophobicContact CG-CD2 3.95Å |
| 192 | Q | 85.1 | Confident | 91.1 | Very high | 126 Ų | 126 | 64.6 Ų | 64.6 | 59% | 0.589 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -63.5 | -40.6 | 169.3 | -166.3 | 67 | 29.5 | 0 | 0 | 111.5 | ||
| 193 | N | 88 | Confident | 90.8 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | trans | -116.5 | 105.1 | 176.3 | -178.4 | 8.4 | 0 | 0 | 0 | 109.9 | L191 E195 D196 | L191-N193 VanDerWaalsContact C-N 3.31Å; N193-E195 PolarHBondContact O-N 3.17Å; N193-E195 VanDerWaalsContact O-N 3.12Å; N193-E195 WeakPolarHBondContact OD1-CB 3.39Å; N193-E195 PolarHBondContact OD1-N 2.96Å; N193-D196 HydrophobicContact CB-CB 4.26Å; N193-D196 WeakPolarHBondContact O-CB 3.21Å; N193-D196 PolarHBondContact O-N 3.33Å; N193-D196 VanDerWaalsContact O-N 3.08Å | ||
| 194 | P | 85.8 | Confident | 90.6 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -21.6 | 174.7 | -27.4 | 36.7 | 0 | 0 | 0 | 114.6 | A230 | P194-A230 HydrophobicContact CB-CB 4.09Å; P194-A230 HydrophobicContact CG-CB 4.22Å |
| 195 | E | 84.2 | Confident | 90.2 | Very high | 113 Ų | 113 | 52.5 Ų | 52.5 | 53% | 0.528 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.8 | 179.2 | -57 | -166.7 | 137.3 | 0 | 0 | 113.8 | N80 N193 E197 | N80-E195 PolarHBondContact ND2-OE1 3.06Å; N193-E195 PolarHBondContact O-N 3.17Å; N193-E195 VanDerWaalsContact O-N 3.12Å; N193-E195 WeakPolarHBondContact OD1-CB 3.39Å; N193-E195 PolarHBondContact OD1-N 2.96Å; E195-E197 PolarHBondContact O-N 3.14Å |
| 196 | D | 87.5 | Confident | 89.8 | Confident | 70 Ų | 70 | 50 Ų | 50 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | trans | -75.4 | 92.4 | 177.1 | -178.9 | 9.4 | 0 | 0 | 0 | 111.1 | N193 N198 G199 R200 | N193-D196 HydrophobicContact CB-CB 4.26Å; N193-D196 WeakPolarHBondContact O-CB 3.21Å; N193-D196 PolarHBondContact O-N 3.33Å; N193-D196 VanDerWaalsContact O-N 3.08Å; D196-N198 PolarHBondContact O-N 3.42Å; D196-N198 PolarHBondContact OD1-N 2.97Å; D196-N198 VanDerWaalsContact OD1-N 3.08Å; D196-G199 VanDerWaalsContact CG-N 3.32Å; D196-G199 PolarHBondContact O-N 2.8Å; D196-G199 PolarHBondContact OD1-N 3.39Å; D196-G199 VanDerWaalsContact OD1-N 3.11Å; D196-G199 PolarHBondContact OD2-N 2.81Å; D196-R200 WeakPolarHBondContact O-CB 3.19Å; D196-R200 PolarHBondContact O-N 2.95Å | ||
| 197 | E | 86.6 | Confident | 89.5 | Confident | 58 Ų | 58 | 50 Ų | 50 | 27% | 0.271 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.8 | -29.8 | 178.7 | -69.7 | -62.3 | 143.7 | 0 | 0 | 113.6 | R52 K76 E195 R200 E201 | R52-E197 IonicContact NH2-OE1 3.85Å; K76-E197 HydrophobicContact CD-CG 4.24Å; K76-E197 WeakPolarHBondContact CD-OE1 3.33Å; K76-E197 IonicContact NZ-OE1 3.45Å; K76-E197 PolarHBondContact NZ-OE1 3.22Å; E195-E197 PolarHBondContact O-N 3.14Å; E197-R200 PolarHBondContact O-N 3.32Å; E197-R200 IonicContact OE1-NE 3.77Å; E197-R200 IonicContact OE2-CZ 3.34Å; E197-R200 IonicContact OE2-NE 2.94Å; E197-R200 PolarHBondContact OE2-NE 3.44Å; E197-R200 IonicContact OE2-NH2 2.85Å; E197-R200 PolarHBondContact OE2-NH2 3.12Å; E197-E201 PolarHBondContact O-N 3.04Å |
| 198 | N | 86.3 | Confident | 89.3 | Confident | 130 Ų | 130 | 50.1 Ų | 50.1 | 70% | 0.695 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -71.5 | -47.2 | 177 | -72 | -29.3 | 0 | 0 | 0 | 109.9 | D196 R200 E201 E202 | D196-N198 PolarHBondContact O-N 3.42Å; D196-N198 PolarHBondContact OD1-N 2.97Å; D196-N198 VanDerWaalsContact OD1-N 3.08Å; N198-R200 VanDerWaalsContact C-N 3.26Å; N198-R200 PolarHBondContact O-N 3.01Å; N198-E201 PolarHBondContact O-N 2.98Å; N198-E202 WeakPolarHBondContact O-CG 3.38Å; N198-E202 PolarHBondContact O-N 2.89Å |
| 199 | G | 87.7 | Confident | 88.9 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56 | -41.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | D196 E201 E202 L203 | D196-G199 VanDerWaalsContact CG-N 3.32Å; D196-G199 PolarHBondContact O-N 2.8Å; D196-G199 PolarHBondContact OD1-N 3.39Å; D196-G199 VanDerWaalsContact OD1-N 3.11Å; D196-G199 PolarHBondContact OD2-N 2.81Å; G199-E201 PolarHBondContact O-N 2.86Å; G199-E202 PolarHBondContact O-N 3.4Å; G199-L203 WeakPolarHBondContact O-CB 3.36Å; G199-L203 PolarHBondContact O-N 2.86Å |
| 200 | R | 90.2 | Very high | 88.8 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.1 | -164.7 | -179.9 | 70.9 | 80.4 | 6.7 | 112.9 | L191 D196 E197 N198 L203 L204 | L191-R200 HydrophobicContact CD1-CB 3.83Å; L191-R200 HydrophobicContact CD1-CG 4.46Å; D196-R200 WeakPolarHBondContact O-CB 3.19Å; D196-R200 PolarHBondContact O-N 2.95Å; E197-R200 PolarHBondContact O-N 3.32Å; E197-R200 IonicContact OE1-NE 3.77Å; E197-R200 IonicContact OE2-CZ 3.34Å; E197-R200 IonicContact OE2-NE 2.94Å; E197-R200 PolarHBondContact OE2-NE 3.44Å; E197-R200 IonicContact OE2-NH2 2.85Å; E197-R200 PolarHBondContact OE2-NH2 3.12Å; N198-R200 VanDerWaalsContact C-N 3.26Å; N198-R200 PolarHBondContact O-N 3.01Å; R200-L203 PolarHBondContact O-N 3.14Å; R200-L204 HydrophobicContact CG-CD1 4.32Å; R200-L204 WeakPolarHBondContact O-CB 3.49Å; R200-L204 WeakPolarHBondContact O-CG 3.46Å; R200-L204 PolarHBondContact O-N 2.94Å |
| 201 | E | 88.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 48.7 Ų | 48.7 | 26% | 0.257 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.6 | -35.2 | 176.6 | -170.5 | 59.8 | -129.5 | 0 | 0 | 112 | L56 E197 N198 G199 R205 R208 | L56-E201 WeakPolarHBondContact CD1-OE1 3.21Å; E197-E201 PolarHBondContact O-N 3.04Å; N198-E201 PolarHBondContact O-N 2.98Å; G199-E201 PolarHBondContact O-N 2.86Å; E201-R205 WeakPolarHBondContact O-CB 3.39Å; E201-R205 PolarHBondContact O-N 3.32Å; E201-R208 IonicContact OE1-CZ 2.75Å; E201-R208 IonicContact OE1-NH1 3.77Å; E201-R208 PolarHBondContact OE1-NH1 3.42Å; E201-R208 IonicContact OE1-NH2 2.88Å; E201-R208 PolarHBondContact OE1-NH2 3.01Å |
| 202 | E | 87.4 | Confident | 88.6 | Confident | 125 Ų | 125 | 50.8 Ų | 50.8 | 58% | 0.584 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.2 | -44.6 | 173.1 | -72.1 | -174.5 | 174.8 | 0 | 0 | 111.9 | N198 G199 R205 E206 | N198-E202 WeakPolarHBondContact O-CG 3.38Å; N198-E202 PolarHBondContact O-N 2.89Å; G199-E202 PolarHBondContact O-N 3.4Å; E202-R205 WeakPolarHBondContact O-CB 3.34Å; E202-R205 PolarHBondContact O-N 3.35Å; E202-E206 PolarHBondContact O-N 3.31Å |
| 203 | L | 90.4 | Very high | 88.7 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.6 | -45.6 | 176.3 | -178.1 | 64.7 | 0 | 0 | 0 | 111.9 | K189 L191 G199 R200 R205 E206 A207 V233 | K189-L203 HydrophobicContact CB-CD1 4.28Å; K189-L203 HydrophobicContact CD-CD1 3.75Å; K189-L203 HydrophobicContact CG-CD1 3.79Å; L191-L203 HydrophobicContact CD2-CB 4.15Å; L191-L203 HydrophobicContact CD2-CD2 4.1Å; L191-L203 HydrophobicContact CG-CD2 3.95Å; G199-L203 WeakPolarHBondContact O-CB 3.36Å; G199-L203 PolarHBondContact O-N 2.86Å; R200-L203 PolarHBondContact O-N 3.14Å; L203-R205 VanDerWaalsContact C-N 3.33Å; L203-R205 PolarHBondContact O-N 3.32Å; L203-E206 WeakPolarHBondContact O-CB 3.47Å; L203-E206 PolarHBondContact O-N 3.37Å; L203-A207 PolarHBondContact O-N 3.1Å; L203-A207 VanDerWaalsContact O-N 3.1Å; L203-V233 HydrophobicContact CD1-CB 4.28Å; L203-V233 HydrophobicContact CD1-CG2 3.52Å; L203-V233 HydrophobicContact CD2-CG2 4.09Å; L203-V233 HydrophobicContact CG-CG2 3.48Å; L203-V233 VanDerWaalsContact CG-CG2 3.48Å |
| 204 | L | 92.3 | Very high | 88.7 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.8 | -34.3 | 176.9 | -76.5 | 178.3 | 0 | 0 | 0 | 112.8 | R200 A207 R208 V224 T231 | R200-L204 HydrophobicContact CG-CD1 4.32Å; R200-L204 WeakPolarHBondContact O-CB 3.49Å; R200-L204 WeakPolarHBondContact O-CG 3.46Å; R200-L204 PolarHBondContact O-N 2.94Å; L204-A207 PolarHBondContact O-N 2.9Å; L204-R208 WeakPolarHBondContact O-CB 3.44Å; L204-R208 PolarHBondContact O-N 2.97Å; L204-V224 HydrophobicContact CD2-CB 3.99Å; L204-V224 HydrophobicContact CD2-CG1 3.83Å; L204-V224 HydrophobicContact CD2-CG2 3.98Å; L204-T231 HydrophobicContact CD1-CG2 4.45Å; L204-T231 HydrophobicContact CD2-CG2 3.51Å; L204-T231 HydrophobicContact CG-CG2 3.98Å |
| 205 | R | 89.6 | Confident | 89 | Confident | 78 Ų | 78 | 46.3 Ų | 46.3 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -47 | 173.1 | 179.3 | -160.7 | -178.5 | 163.5 | 16.8 | 111 | E201 E202 L203 A207 R208 I209 R311 | E201-R205 WeakPolarHBondContact O-CB 3.39Å; E201-R205 PolarHBondContact O-N 3.32Å; E202-R205 WeakPolarHBondContact O-CB 3.34Å; E202-R205 PolarHBondContact O-N 3.35Å; L203-R205 VanDerWaalsContact C-N 3.33Å; L203-R205 PolarHBondContact O-N 3.32Å; R205-A207 VanDerWaalsContact C-N 3.3Å; R205-A207 PolarHBondContact O-N 3.2Å; R205-R208 WeakPolarHBondContact O-CB 3.17Å; R205-R208 PolarHBondContact O-N 3.04Å; R205-R208 VanDerWaalsContact O-N 3.12Å; R205-I209 HydrophobicContact CG-CD1 4.49Å; R205-I209 WeakPolarHBondContact O-CG1 3.38Å; R205-I209 PolarHBondContact O-N 3.14Å; R205-R311 VanDerWaalsContact NH1-NH1 3.14Å |
| 206 | E | 88.5 | Confident | 89.3 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.1 | -49.4 | 175.3 | -178 | 179.5 | 165.6 | 0 | 0 | 110.4 | K189 E202 L203 R208 I209 M210 F307 | K189-E206 IonicContact NZ-OE1 3.92Å; K189-E206 PolarHBondContact NZ-OE1 3.47Å; K189-E206 IonicContact NZ-OE2 2.72Å; K189-E206 PolarHBondContact NZ-OE2 3.39Å; E202-E206 PolarHBondContact O-N 3.31Å; L203-E206 WeakPolarHBondContact O-CB 3.47Å; L203-E206 PolarHBondContact O-N 3.37Å; E206-R208 VanDerWaalsContact C-N 3.31Å; E206-R208 PolarHBondContact O-N 2.97Å; E206-I209 PolarHBondContact O-N 3.23Å; E206-I209 VanDerWaalsContact O-N 3.14Å; E206-M210 HydrophobicContact CG-CG 4.43Å; E206-M210 HydrophobicContact CG-SD 4.04Å; E206-M210 WeakPolarHBondContact O-CG 3.12Å; E206-M210 PolarHBondContact O-N 2.99Å; E206-F307 HydrophobicContact CG-CB 4.05Å |
| 207 | A | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -36.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L203 L204 R205 I209 M210 R211 V224 V233 | L203-A207 PolarHBondContact O-N 3.1Å; L203-A207 VanDerWaalsContact O-N 3.1Å; L204-A207 PolarHBondContact O-N 2.9Å; R205-A207 VanDerWaalsContact C-N 3.3Å; R205-A207 PolarHBondContact O-N 3.2Å; A207-I209 VanDerWaalsContact C-N 3.34Å; A207-M210 PolarHBondContact O-N 2.97Å; A207-R211 WeakPolarHBondContact O-CB 3.17Å; A207-R211 WeakPolarHBondContact O-CG 3.38Å; A207-R211 PolarHBondContact O-N 2.91Å; A207-R211 PolarHBondContact O-NE 2.71Å; A207-V224 HydrophobicContact CB-CG1 3.44Å; A207-V224 VanDerWaalsContact CB-CG1 3.44Å; A207-V233 HydrophobicContact CB-CB 4.47Å; A207-V233 HydrophobicContact CB-CG1 3.8Å; A207-V233 HydrophobicContact CB-CG2 3.82Å |
| 208 | R | 91 | Very high | 89.9 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 6% | 0.064 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | 175.8 | -166.9 | 179.6 | -57.3 | 118.3 | 9.2 | 112.7 | S54 L56 D57 D60 E201 L204 R205 E206 K212 | S54-R208 PolarHBondContact OG-NH2 3.45Å; L56-R208 VanDerWaalsContact CB-CZ 3.46Å; D57-R208 VanDerWaalsContact CG-NH2 3.29Å; D57-R208 IonicContact OD1-CZ 3.76Å; D57-R208 IonicContact OD1-NE 3.34Å; D57-R208 PolarHBondContact OD1-NE 3.16Å; D57-R208 IonicContact OD1-NH2 2.78Å; D57-R208 PolarHBondContact OD1-NH2 3.22Å; D57-R208 IonicContact OD2-CZ 3.37Å; D57-R208 IonicContact OD2-NE 3.48Å; D57-R208 IonicContact OD2-NH2 3.83Å; D57-R208 PolarHBondContact OD2-NH2 2.92Å; D60-R208 VanDerWaalsContact OD2-CD 3.27Å; D60-R208 WeakPolarHBondContact OD2-CD 3.43Å; D60-R208 WeakPolarHBondContact OD2-CG 3.25Å; E201-R208 IonicContact OE1-CZ 2.75Å; E201-R208 IonicContact OE1-NH1 3.77Å; E201-R208 PolarHBondContact OE1-NH1 3.42Å; E201-R208 IonicContact OE1-NH2 2.88Å; E201-R208 PolarHBondContact OE1-NH2 3.01Å; L204-R208 WeakPolarHBondContact O-CB 3.44Å; L204-R208 PolarHBondContact O-N 2.97Å; R205-R208 WeakPolarHBondContact O-CB 3.17Å; R205-R208 PolarHBondContact O-N 3.04Å; R205-R208 VanDerWaalsContact O-N 3.12Å; E206-R208 VanDerWaalsContact C-N 3.31Å; E206-R208 PolarHBondContact O-N 2.97Å; R208-K212 WeakPolarHBondContact O-CD 3.36Å; R208-K212 VanDerWaalsContact O-CE 3.29Å; R208-K212 WeakPolarHBondContact O-CE 3.4Å; R208-K212 WeakPolarHBondContact O-CG 3.4Å |
| 209 | I | 88.3 | Confident | 90.4 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.5 | -53.1 | 172.4 | -64.6 | 176.2 | 0 | 0 | 0 | 109 | R205 E206 A207 R211 K212 I280 F307 D312 | R205-I209 HydrophobicContact CG-CD1 4.49Å; R205-I209 WeakPolarHBondContact O-CG1 3.38Å; R205-I209 PolarHBondContact O-N 3.14Å; E206-I209 PolarHBondContact O-N 3.23Å; E206-I209 VanDerWaalsContact O-N 3.14Å; A207-I209 VanDerWaalsContact C-N 3.34Å; I209-R211 PolarHBondContact O-N 3.28Å; I209-K212 WeakPolarHBondContact O-CB 3.46Å; I209-K212 PolarHBondContact O-N 3.06Å; I209-K212 VanDerWaalsContact O-N 3.11Å; I209-I280 HydrophobicContact CG2-CD1 3.61Å; I209-I280 HydrophobicContact CG2-CG1 3.94Å; I209-I280 HydrophobicContact CG2-CG2 4.04Å; I209-F307 HydrophobicContact CG2-CD1 4.34Å; I209-D312 HydrophobicContact CD1-CB 4.46Å; I209-D312 HydrophobicContact CG1-CB 4.1Å |
| 210 | M | 91.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -35.7 | -174.1 | -67.5 | -174 | 73.6 | 0 | 0 | 113.9 | E206 A207 K212 L213 V219 C221 L235 F307 | E206-M210 HydrophobicContact CG-CG 4.43Å; E206-M210 HydrophobicContact CG-SD 4.04Å; E206-M210 WeakPolarHBondContact O-CG 3.12Å; E206-M210 PolarHBondContact O-N 2.99Å; A207-M210 PolarHBondContact O-N 2.97Å; M210-K212 PolarHBondContact O-N 2.88Å; M210-K212 VanDerWaalsContact O-N 3.17Å; M210-L213 WeakPolarHBondContact O-CB 3.11Å; M210-L213 PolarHBondContact O-N 3.31Å; M210-V219 HydrophobicContact CE-CB 4.18Å; M210-V219 HydrophobicContact CE-CG1 4.12Å; M210-V219 WeakPolarHBondContact CE-O 3.32Å; M210-C221 HydrophobicContact CB-CB 3.61Å; M210-L235 HydrophobicContact CE-CD1 4.36Å; M210-L235 HydrophobicContact CE-CD2 3.6Å; M210-L235 HydrophobicContact SD-CD2 3.84Å; M210-F307 HydrophobicContact CE-CD2 3.87Å; M210-F307 HydrophobicContact CE-CE2 4.19Å; M210-F307 HydrophobicContact CG-CB 3.91Å; M210-F307 HydrophobicContact CG-CD2 3.63Å; M210-F307 HydrophobicContact CG-CE2 4.4Å; M210-F307 HydrophobicContact CG-CG 3.88Å; M210-F307 HydrophobicContact SD-CB 4.32Å; M210-F307 HydrophobicContact SD-CD2 3.83Å; M210-F307 HydrophobicContact SD-CG 4.45Å |
| 211 | R | 91.2 | Very high | 91 | Very high | 35 Ų | 35 | 36 Ų | 36 | 13% | 0.132 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -22.3 | 176.3 | -76.5 | 174 | -66.4 | 161.9 | -2.4 | 113.7 | D57 A207 I209 L213 C221 | D57-R211 IonicContact OD1-CZ 3.26Å; D57-R211 IonicContact OD1-NH1 3.7Å; D57-R211 IonicContact OD1-NH2 3.64Å; D57-R211 PolarHBondContact OD1-NH2 3.14Å; A207-R211 WeakPolarHBondContact O-CB 3.17Å; A207-R211 WeakPolarHBondContact O-CG 3.38Å; A207-R211 PolarHBondContact O-N 2.91Å; A207-R211 PolarHBondContact O-NE 2.71Å; I209-R211 PolarHBondContact O-N 3.28Å; R211-L213 VanDerWaalsContact C-N 3.3Å; R211-C221 HydrophobicContact CG-CB 4.19Å |
| 212 | K | 87.4 | Confident | 91.4 | Very high | 69 Ų | 69 | 35 Ų | 35 | 30% | 0.3 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -14.4 | 175.7 | -59.4 | 169.3 | -172.1 | 177.8 | 0 | 111.8 | D60 R208 I209 M210 L278 D312 | D60-K212 IonicContact OD2-NZ 2.75Å; D60-K212 PolarHBondContact OD2-NZ 3.37Å; R208-K212 WeakPolarHBondContact O-CD 3.36Å; R208-K212 VanDerWaalsContact O-CE 3.29Å; R208-K212 WeakPolarHBondContact O-CE 3.4Å; R208-K212 WeakPolarHBondContact O-CG 3.4Å; I209-K212 WeakPolarHBondContact O-CB 3.46Å; I209-K212 PolarHBondContact O-N 3.06Å; I209-K212 VanDerWaalsContact O-N 3.11Å; M210-K212 PolarHBondContact O-N 2.88Å; M210-K212 VanDerWaalsContact O-N 3.17Å; K212-L278 HydrophobicContact CB-CD2 3.81Å; K212-D312 IonicContact NZ-OD2 2.71Å; K212-D312 PolarHBondContact NZ-OD2 3.27Å |
| 213 | L | 88.5 | Confident | 91.8 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | trans | -96.1 | 112.3 | -174.7 | -55.4 | -178.9 | 0 | 0 | 0 | 110.5 | M210 R211 V218 I271 L278 I280 F307 | M210-L213 WeakPolarHBondContact O-CB 3.11Å; M210-L213 PolarHBondContact O-N 3.31Å; R211-L213 VanDerWaalsContact C-N 3.3Å; L213-V218 HydrophobicContact CB-CG1 4.08Å; L213-V218 HydrophobicContact CD1-CG1 3.99Å; L213-I271 HydrophobicContact CD1-CG2 3.8Å; L213-I271 HydrophobicContact CD2-CB 4.21Å; L213-I271 HydrophobicContact CD2-CG2 3.66Å; L213-I271 HydrophobicContact CG-CG2 4.28Å; L213-L278 HydrophobicContact CD2-CD1 4.09Å; L213-L278 HydrophobicContact CD2-CD2 4.09Å; L213-I280 HydrophobicContact CD1-CD1 4.33Å; L213-I280 HydrophobicContact CD2-CD1 3.43Å; L213-I280 VanDerWaalsContact CD2-CD1 3.43Å; L213-I280 HydrophobicContact CG-CD1 4.14Å; L213-F307 HydrophobicContact CD1-CD1 3.93Å; L213-F307 HydrophobicContact CD1-CE1 3.39Å; L213-F307 HydrophobicContact CD1-CE2 4.16Å; L213-F307 HydrophobicContact CD1-CZ 3.53Å | ||
| 214 | K | 88 | Confident | 92.2 | Very high | 128 Ų | 128 | 28.7 Ų | 28.7 | 56% | 0.557 | 13% | 0.134 | S | C | * | . | trans | -124.1 | 90.5 | 174.6 | -62.7 | -164.8 | 179.4 | -176.2 | 0 | 109.2 | Y220 | K214-Y220 HydrophobicContact CD-CE2 4.3Å; K214-Y220 HydrophobicContact CG-CE2 4.08Å | ||
| 215 | N | 91.3 | Very high | 92.3 | Very high | 37 Ų | 37 | 28.5 Ų | 28.5 | 20% | 0.198 | 13% | 0.133 | C | C | . | . | trans | -149.4 | 140.3 | -180 | -176 | -88.5 | 0 | 0 | 0 | 111 | G217 V218 G267 H270 | N215-G217 PolarHBondContact O-N 3.07Å; N215-G217 WeakPolarHBondContact OD1-CA 3.49Å; N215-G217 PolarHBondContact OD1-N 3.07Å; N215-V218 HydrophobicContact CB-CB 4.41Å; N215-V218 HydrophobicContact CB-CG2 4.23Å; N215-V218 PolarHBondContact O-N 3.11Å; N215-V218 VanDerWaalsContact O-N 3.07Å; N215-G267 WeakPolarHBondContact OD1-CA 3.22Å; N215-H270 HydrophobicContact CB-CB 4.09Å; N215-H270 VanDerWaalsContact CB-CD2 3.48Å; N215-H270 WeakPolarHBondContact CB-CD2 3.49Å | ||
| 216 | P | 91.5 | Very high | 92.4 | Very high | 105 Ų | 105 | 25 Ų | 25 | 68% | 0.682 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.5 | 178.8 | -25.7 | 35.4 | 0 | 0 | 0 | 115.1 | K303 | P216-K303 WeakPolarHBondContact O-CE 3.41Å; P216-K303 WeakPolarHBondContact O-CG 3.49Å |
| 217 | G | 92.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 11.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N215 K303 V304 | N215-G217 PolarHBondContact O-N 3.07Å; N215-G217 WeakPolarHBondContact OD1-CA 3.49Å; N215-G217 PolarHBondContact OD1-N 3.07Å; G217-K303 WeakPolarHBondContact O-CA 3.43Å; G217-V304 PolarHBondContact O-N 2.79Å |
| 218 | V | 94 | Very high | 92.2 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -131.3 | 137.6 | 177 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | L213 N215 Y220 I271 F307 | L213-V218 HydrophobicContact CB-CG1 4.08Å; L213-V218 HydrophobicContact CD1-CG1 3.99Å; N215-V218 HydrophobicContact CB-CB 4.41Å; N215-V218 HydrophobicContact CB-CG2 4.23Å; N215-V218 PolarHBondContact O-N 3.11Å; N215-V218 VanDerWaalsContact O-N 3.07Å; V218-Y220 PolarHBondContact O-N 2.94Å; V218-I271 HydrophobicContact CG2-CG2 4.04Å; V218-F307 HydrophobicContact CG1-CE2 3.74Å; V218-F307 HydrophobicContact CG1-CZ 3.62Å |
| 219 | V | 95.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | trans | -60.4 | 121.9 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | M210 L235 E236 V238 L291 K303 V304 C305 | M210-V219 HydrophobicContact CE-CB 4.18Å; M210-V219 HydrophobicContact CE-CG1 4.12Å; M210-V219 WeakPolarHBondContact CE-O 3.32Å; V219-L235 HydrophobicContact CG1-CB 4Å; V219-E236 VanDerWaalsContact CA-OE1 3.27Å; V219-E236 WeakPolarHBondContact CA-OE1 3.42Å; V219-E236 HydrophobicContact CB-CG 4.43Å; V219-E236 HydrophobicContact CG1-CG 3.75Å; V219-V238 HydrophobicContact CG2-CG2 4.2Å; V219-L291 HydrophobicContact CG2-CD1 3.89Å; V219-L291 HydrophobicContact CG2-CG 4.48Å; V219-K303 HydrophobicContact CG2-CB 3.76Å; V219-V304 PolarHBondContact N-O 3.33Å; V219-C305 HydrophobicContact CB-CB 4.13Å; V219-C305 HydrophobicContact CG2-CB 3.58Å | ||
| 220 | Y | 95.6 | Very high | 91.7 | Very high | 67 Ų | 67 | 31.1 Ų | 31.1 | 26% | 0.263 | 17% | 0.167 | S | C | . | . | trans | -70 | 133 | 177.8 | -169.6 | -103.4 | 0 | 0 | 0 | 111.8 | K214 V218 Y222 L235 E236 | K214-Y220 HydrophobicContact CD-CE2 4.3Å; K214-Y220 HydrophobicContact CG-CE2 4.08Å; V218-Y220 PolarHBondContact O-N 2.94Å; Y220-Y222 AromaticContact CD1-CD1 3.73Å; Y220-Y222 HydrophobicContact CD1-CD1 3.73Å; Y220-Y222 HydrophobicContact CD1-CD2 4.32Å; Y220-Y222 AromaticContact CD1-CE1 3.69Å; Y220-Y222 HydrophobicContact CD1-CE1 3.69Å; Y220-Y222 HydrophobicContact CD1-CE2 4.33Å; Y220-Y222 HydrophobicContact CD1-CG 4.03Å; Y220-Y222 AromaticContact CD1-CZ 4Å; Y220-Y222 AromaticContact CE1-CD1 3.49Å; Y220-Y222 HydrophobicContact CE1-CD1 3.49Å; Y220-Y222 VanDerWaalsContact CE1-CD1 3.49Å; Y220-Y222 AromaticContact CE1-CE1 3.75Å; Y220-Y222 HydrophobicContact CE1-CE1 3.75Å; Y220-Y222 HydrophobicContact CE1-CG 4.03Å; Y220-L235 CarbonylContact O-C 3.58Å; Y220-L235 WeakPolarHBondContact O-CA 3.18Å; Y220-E236 PolarHBondContact N-OE1 3.17Å; Y220-E236 PolarHBondContact O-N 3.11Å | ||
| 221 | C | 95.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115 | 169.6 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | M210 R211 L235 | M210-C221 HydrophobicContact CB-CB 3.61Å; R211-C221 HydrophobicContact CG-CB 4.19Å; C221-L235 HydrophobicContact CB-CD2 3.73Å |
| 222 | Y | 96.6 | Very high | 91.8 | Very high | 34 Ų | 34 | 30.7 Ų | 30.7 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -38.9 | 175.6 | -66.1 | -77.4 | 0 | 0 | 0 | 111.5 | W150 I179 M184 L186 Y220 L234 E236 | W150-Y222 WeakPolarHBondContact CB-O 3.35Å; I179-Y222 HydrophobicContact CD1-CD1 3.53Å; I179-Y222 HydrophobicContact CD1-CE1 4.21Å; I179-Y222 HydrophobicContact CD1-CG 4.04Å; M184-Y222 HydrophobicContact CB-CE1 4.47Å; M184-Y222 HydrophobicContact CE-CE1 3.91Å; M184-Y222 WeakPolarHBondContact CE-OH 3.14Å; M184-Y222 HydrophobicContact CG-CE1 4.27Å; L186-Y222 HydrophobicContact CD2-CD2 3.33Å; L186-Y222 HydrophobicContact CD2-CE2 3.57Å; L186-Y222 HydrophobicContact CD2-CG 4.25Å; Y220-Y222 AromaticContact CD1-CD1 3.73Å; Y220-Y222 HydrophobicContact CD1-CD1 3.73Å; Y220-Y222 HydrophobicContact CD1-CD2 4.32Å; Y220-Y222 AromaticContact CD1-CE1 3.69Å; Y220-Y222 HydrophobicContact CD1-CE1 3.69Å; Y220-Y222 HydrophobicContact CD1-CE2 4.33Å; Y220-Y222 HydrophobicContact CD1-CG 4.03Å; Y220-Y222 AromaticContact CD1-CZ 4Å; Y220-Y222 AromaticContact CE1-CD1 3.49Å; Y220-Y222 HydrophobicContact CE1-CD1 3.49Å; Y220-Y222 VanDerWaalsContact CE1-CD1 3.49Å; Y220-Y222 AromaticContact CE1-CE1 3.75Å; Y220-Y222 HydrophobicContact CE1-CE1 3.75Å; Y220-Y222 HydrophobicContact CE1-CG 4.03Å; Y222-L234 PolarHBondContact N-O 2.97Å; Y222-E236 HydrophobicContact CE2-CB 3.87Å |
| 223 | G | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.3 | -155.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | W150 L234 | W150-G223 CarbonylContact O-C 3.49Å; W150-G223 WeakPolarHBondContact O-CA 3.38Å; G223-L234 PolarHBondContact O-N 3.19Å |
| 224 | V | 97.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.6 | -178.9 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | W150 F152 L204 A207 I226 M232 V233 | W150-V224 HydrophobicContact CE3-CG2 4.2Å; W150-V224 HydrophobicContact CZ3-CG2 4.21Å; W150-V224 PolarHBondContact O-N 3.37Å; F152-V224 PolarHBondContact N-O 3.26Å; L204-V224 HydrophobicContact CD2-CB 3.99Å; L204-V224 HydrophobicContact CD2-CG1 3.83Å; L204-V224 HydrophobicContact CD2-CG2 3.98Å; A207-V224 HydrophobicContact CB-CG1 3.44Å; A207-V224 VanDerWaalsContact CB-CG1 3.44Å; V224-I226 HydrophobicContact CG2-CG2 4.27Å; V224-M232 CarbonylContact C-O 3.4Å; V224-M232 WeakPolarHBondContact CA-O 3.48Å; V224-V233 HydrophobicContact CG1-CG2 4.15Å |
| 225 | T | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 144.9 | 170.6 | 67.7 | 0 | 0 | 0 | 0 | 112.4 | F152 D154 V157 M232 L234 | F152-T225 HydrophobicContact CB-CG2 4.24Å; F152-T225 CarbonylContact O-C 3.55Å; F152-T225 WeakPolarHBondContact O-CA 3.45Å; D154-T225 WeakPolarHBondContact OD1-CB 3.39Å; D154-T225 PolarHBondContact OD1-OG1 2.78Å; V157-T225 HydrophobicContact CG2-CG2 3.67Å; T225-M232 HydrophobicContact CG2-CB 4.12Å; T225-M232 HydrophobicContact CG2-CE 3.85Å; T225-M232 PolarHBondContact N-O 3.42Å; T225-M232 PolarHBondContact OG1-N 3.33Å; T225-L234 HydrophobicContact CG2-CD1 4.33Å; T225-L234 HydrophobicContact CG2-CD2 4.26Å |
| 226 | I | 91.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | trans | -124.5 | -1.4 | -170.1 | 58.8 | 160.1 | 0 | 0 | 0 | 114.4 | H50 A51 R52 E151 F152 V224 | H50-I226 WeakPolarHBondContact O-CD1 3.47Å; A51-I226 HydrophobicContact CB-CB 4.38Å; A51-I226 HydrophobicContact CB-CD1 4.02Å; A51-I226 HydrophobicContact CB-CG1 4.27Å; A51-I226 WeakPolarHBondContact CB-O 3.03Å; R52-I226 WeakPolarHBondContact CB-O 3.17Å; R52-I226 VanDerWaalsContact CG-O 3.25Å; R52-I226 WeakPolarHBondContact CG-O 3.33Å; R52-I226 PolarHBondContact N-O 3.36Å; E151-I226 HydrophobicContact CB-CD1 3.93Å; E151-I226 HydrophobicContact CB-CG1 4.44Å; E151-I226 HydrophobicContact CB-CG2 4.37Å; E151-I226 HydrophobicContact CG-CG2 4.32Å; F152-I226 WeakPolarHBondContact O-CG1 3.38Å; F152-I226 PolarHBondContact O-N 2.89Å; V224-I226 HydrophobicContact CG2-CG2 4.27Å | ||
| 227 | S | 88.8 | Confident | 93.5 | Very high | 47 Ų | 47 | 19.8 Ų | 19.8 | 33% | 0.329 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -76.4 | -32 | -171.7 | -36.2 | 0 | 0 | 0 | 0 | 113.4 | E153 D154 | E153-S227 WeakPolarHBondContact CA-OG 3.33Å; E153-S227 VanDerWaalsContact OE2-CB 3.3Å; E153-S227 WeakPolarHBondContact OE2-CB 3.36Å; E153-S227 PolarHBondContact OE2-OG 3.34Å; D154-S227 PolarHBondContact N-OG 2.82Å |
| 228 | S | 86.7 | Confident | 93.6 | Very high | 38 Ų | 38 | 20 Ų | 20 | 27% | 0.266 | 11% | 0.108 | S | C | . | . | S | Bend | trans | -136.7 | 177.7 | -172.5 | 75.5 | 0 | 0 | 0 | 0 | 113.1 | D154 A230 | D154-S228 WeakPolarHBondContact OD2-CB 3.3Å; D154-S228 PolarHBondContact OD2-N 2.87Å; D154-S228 PolarHBondContact OD2-OG 2.88Å; S228-A230 PolarHBondContact O-N 3.19Å; S228-A230 PolarHBondContact OG-N 2.9Å; S228-A230 VanDerWaalsContact OG-N 3.17Å |
| 229 | D | 81.8 | Confident | 93.6 | Very high | 29 Ų | 29 | 22.8 Ų | 22.8 | 16% | 0.155 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -70.6 | -18.3 | 172 | -74.4 | -8.4 | 0 | 0 | 0 | 112.1 | R52 K76 T231 | R52-D229 IonicContact CZ-OD1 3.28Å; R52-D229 VanDerWaalsContact CZ-OD1 3.28Å; R52-D229 IonicContact NE-OD1 3.03Å; R52-D229 PolarHBondContact NE-OD1 3.37Å; R52-D229 IonicContact NH2-OD1 2.7Å; R52-D229 PolarHBondContact NH2-OD1 3.15Å; K76-D229 WeakPolarHBondContact CE-OD2 3.35Å; K76-D229 IonicContact NZ-OD2 3.37Å; K76-D229 PolarHBondContact NZ-OD2 3.1Å; D229-T231 PolarHBondContact O-N 3.02Å |
| 230 | A | 86.9 | Confident | 93.5 | Very high | 45 Ų | 45 | 23.7 Ų | 23.7 | 37% | 0.372 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -81 | 54.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P194 S228 M232 | P194-A230 HydrophobicContact CB-CB 4.09Å; P194-A230 HydrophobicContact CG-CB 4.22Å; S228-A230 PolarHBondContact O-N 3.19Å; S228-A230 PolarHBondContact OG-N 2.9Å; S228-A230 VanDerWaalsContact OG-N 3.17Å; A230-M232 WeakPolarHBondContact O-CG 3.27Å; A230-M232 PolarHBondContact O-N 3.33Å |
| 231 | T | 89.7 | Confident | 93.4 | Very high | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | trans | -53.9 | 127.2 | 178.5 | -61.4 | 0 | 0 | 0 | 0 | 111 | L204 D229 | L204-T231 HydrophobicContact CD1-CG2 4.45Å; L204-T231 HydrophobicContact CD2-CG2 3.51Å; L204-T231 HydrophobicContact CG-CG2 3.98Å; D229-T231 PolarHBondContact O-N 3.02Å | ||
| 232 | M | 95 | Very high | 93.4 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 11% | 0.113 | 15% | 0.146 | C | C | . | . | trans | -109 | 141.4 | 176 | -56.8 | -176.9 | -101.4 | 0 | 0 | 110.5 | D154 V157 L159 V188 T190 V224 T225 A230 L234 | D154-M232 HydrophobicContact CB-CE 3.94Å; D154-M232 WeakPolarHBondContact OD1-CE 3.19Å; V157-M232 HydrophobicContact CB-CE 4.29Å; V157-M232 HydrophobicContact CG1-SD 4.29Å; V157-M232 HydrophobicContact CG2-CE 4.45Å; L159-M232 HydrophobicContact CD1-SD 4.46Å; V188-M232 HydrophobicContact CG1-CB 3.68Å; V188-M232 HydrophobicContact CG1-CG 4.05Å; V188-M232 HydrophobicContact CG1-SD 3.85Å; T190-M232 HydrophobicContact CG2-CG 4.01Å; V224-M232 CarbonylContact C-O 3.4Å; V224-M232 WeakPolarHBondContact CA-O 3.48Å; T225-M232 HydrophobicContact CG2-CB 4.12Å; T225-M232 HydrophobicContact CG2-CE 3.85Å; T225-M232 PolarHBondContact N-O 3.42Å; T225-M232 PolarHBondContact OG1-N 3.33Å; A230-M232 WeakPolarHBondContact O-CG 3.27Å; A230-M232 PolarHBondContact O-N 3.33Å; M232-L234 HydrophobicContact CB-CD2 4.03Å | ||
| 233 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.4 | 168.6 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | V188 K189 L203 A207 V224 L235 | V188-V233 WeakPolarHBondContact CA-O 3.4Å; K189-V233 HydrophobicContact CB-CB 4.29Å; K189-V233 PolarHBondContact N-O 3.33Å; K189-V233 PolarHBondContact O-N 2.68Å; L203-V233 HydrophobicContact CD1-CB 4.28Å; L203-V233 HydrophobicContact CD1-CG2 3.52Å; L203-V233 HydrophobicContact CD2-CG2 4.09Å; L203-V233 HydrophobicContact CG-CG2 3.48Å; L203-V233 VanDerWaalsContact CG-CG2 3.48Å; A207-V233 HydrophobicContact CB-CB 4.47Å; A207-V233 HydrophobicContact CB-CG1 3.8Å; A207-V233 HydrophobicContact CB-CG2 3.82Å; V224-V233 HydrophobicContact CG1-CG2 4.15Å; V233-L235 HydrophobicContact CG1-CD2 3.75Å; V233-L235 HydrophobicContact CG1-CG 4.09Å |
| 234 | L | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 101.4 | -172.9 | -47.3 | -175.4 | 0 | 0 | 0 | 109.1 | F152 V157 I177 L186 V188 Y222 G223 T225 M232 | F152-L234 HydrophobicContact CB-CD1 4.14Å; F152-L234 HydrophobicContact CD2-CD1 3.6Å; F152-L234 HydrophobicContact CE2-CD1 4.19Å; F152-L234 HydrophobicContact CG-CD1 3.93Å; V157-L234 HydrophobicContact CG1-CD2 4.27Å; V157-L234 HydrophobicContact CG2-CD1 3.87Å; V157-L234 HydrophobicContact CG2-CD2 3.79Å; I177-L234 HydrophobicContact CD1-CD1 3.8Å; L186-L234 HydrophobicContact CD1-CB 4.21Å; L186-L234 HydrophobicContact CD1-CD1 4.43Å; L186-L234 HydrophobicContact CD1-CD2 4.17Å; L186-L234 HydrophobicContact CD1-CG 4.5Å; L186-L234 HydrophobicContact CD2-CB 4.25Å; V188-L234 HydrophobicContact CG1-CD2 4.02Å; V188-L234 HydrophobicContact CG2-CD2 4.15Å; Y222-L234 PolarHBondContact N-O 2.97Å; G223-L234 PolarHBondContact O-N 3.19Å; T225-L234 HydrophobicContact CG2-CD1 4.33Å; T225-L234 HydrophobicContact CG2-CD2 4.26Å; M232-L234 HydrophobicContact CB-CD2 4.03Å |
| 235 | L | 96.5 | Very high | 93.5 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 156 | 178.8 | -54.3 | 177.5 | 0 | 0 | 0 | 110.3 | L186 A187 M210 V219 Y220 C221 V233 Y237 | L186-L235 CarbonylContact C-O 3.6Å; L186-L235 WeakPolarHBondContact CA-O 3.28Å; L186-L235 WeakPolarHBondContact CD2-O 3.47Å; A187-L235 HydrophobicContact CB-CB 4.41Å; A187-L235 PolarHBondContact N-O 2.88Å; A187-L235 WeakPolarHBondContact O-CA 3.32Å; A187-L235 VanDerWaalsContact O-CB 3.3Å; A187-L235 WeakPolarHBondContact O-CB 3.4Å; A187-L235 PolarHBondContact O-N 3.43Å; M210-L235 HydrophobicContact CE-CD1 4.36Å; M210-L235 HydrophobicContact CE-CD2 3.6Å; M210-L235 HydrophobicContact SD-CD2 3.84Å; V219-L235 HydrophobicContact CG1-CB 4Å; Y220-L235 CarbonylContact O-C 3.58Å; Y220-L235 WeakPolarHBondContact O-CA 3.18Å; C221-L235 HydrophobicContact CB-CD2 3.73Å; V233-L235 HydrophobicContact CG1-CD2 3.75Å; V233-L235 HydrophobicContact CG1-CG 4.09Å; L235-Y237 PolarHBondContact O-N 3.22Å |
| 236 | E | 95.8 | Very high | 93.6 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 136.6 | 167.8 | 67 | 175.6 | 155.6 | 0 | 0 | 112 | V219 Y220 Y222 V238 K303 | V219-E236 VanDerWaalsContact CA-OE1 3.27Å; V219-E236 WeakPolarHBondContact CA-OE1 3.42Å; V219-E236 HydrophobicContact CB-CG 4.43Å; V219-E236 HydrophobicContact CG1-CG 3.75Å; Y220-E236 PolarHBondContact N-OE1 3.17Å; Y220-E236 PolarHBondContact O-N 3.11Å; Y222-E236 HydrophobicContact CE2-CB 3.87Å; E236-V238 HydrophobicContact CG-CG2 4.13Å; E236-K303 WeakPolarHBondContact OE1-CD 3.4Å; E236-K303 IonicContact OE1-NZ 2.81Å; E236-K303 PolarHBondContact OE1-NZ 3.2Å; E236-K303 IonicContact OE2-NZ 3.39Å; E236-K303 PolarHBondContact OE2-NZ 3.04Å |
| 237 | Y | 96.6 | Very high | 93.9 | Very high | 68 Ų | 68 | 30 Ų | 30 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -79.3 | 122.5 | 170.9 | -177.7 | -106.4 | 0 | 0 | 0 | 110.1 | L164 R174 E185 A187 L235 | L164-Y237 HydrophobicContact CD1-CD2 4.11Å; L164-Y237 HydrophobicContact CD1-CE2 3.76Å; L164-Y237 HydrophobicContact CD2-CE2 4.44Å; R174-Y237 HydrophobicContact CG-CD2 4.41Å; R174-Y237 HydrophobicContact CG-CE2 4.46Å; E185-Y237 PolarHBondContact O-N 3.4Å; A187-Y237 HydrophobicContact CB-CD2 4.43Å; L235-Y237 PolarHBondContact O-N 3.22Å |
| 238 | V | 96 | Very high | 94.3 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | trans | -109.2 | 117.6 | 177.3 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | V219 E236 G240 L291 V292 D293 K303 | V219-V238 HydrophobicContact CG2-CG2 4.2Å; E236-V238 HydrophobicContact CG-CG2 4.13Å; V238-G240 PolarHBondContact O-N 3.27Å; V238-L291 HydrophobicContact CB-CB 3.73Å; V238-L291 HydrophobicContact CB-CD1 3.89Å; V238-L291 HydrophobicContact CB-CG 4.47Å; V238-L291 HydrophobicContact CG1-CB 3.61Å; V238-L291 HydrophobicContact CG2-CB 4.22Å; V238-L291 HydrophobicContact CG2-CD1 4.05Å; V238-V292 VanDerWaalsContact CG1-C 3.44Å; V238-V292 WeakPolarHBondContact CG1-O 3.49Å; V238-D293 HydrophobicContact CG1-CB 4.23Å; V238-K303 HydrophobicContact CG2-CD 4.08Å | ||
| 239 | S | 92.8 | Very high | 94.7 | Very high | 61 Ų | 61 | 37.9 Ų | 37.9 | 43% | 0.427 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -23 | -159.6 | 56.9 | 0 | 0 | 0 | 0 | 115.8 | G241 I294 | S239-G241 VanDerWaalsContact C-N 3.31Å; S239-G241 PolarHBondContact O-N 2.96Å; S239-I294 PolarHBondContact OG-O 3.43Å |
| 240 | G | 94 | Very high | 95.3 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | V238 V292 I294 | V238-G240 PolarHBondContact O-N 3.27Å; G240-V292 WeakPolarHBondContact CA-O 3.39Å; G240-V292 PolarHBondContact N-O 3.48Å; G240-I294 VanDerWaalsContact CA-CG1 3.43Å |
| 241 | G | 93.7 | Very high | 95.7 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | trans | 68 | -161.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | S239 L291 V292 | S239-G241 VanDerWaalsContact C-N 3.31Å; S239-G241 PolarHBondContact O-N 2.96Å; G241-L291 CarbonylContact O-C 3.52Å; G241-L291 VanDerWaalsContact O-CA 3.27Å; G241-L291 WeakPolarHBondContact O-CA 3.43Å; G241-V292 PolarHBondContact O-N 3.1Å | ||
| 242 | S | 95.9 | Very high | 96 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -75.5 | 141.2 | -174.9 | 65.8 | 0 | 0 | 0 | 0 | 112.8 | D244 K245 Y246 C290 | S242-D244 VanDerWaalsContact C-N 3.27Å; S242-D244 WeakPolarHBondContact CB-OD1 3.34Å; S242-D244 PolarHBondContact O-N 2.89Å; S242-D244 PolarHBondContact OG-OD1 3.44Å; S242-K245 PolarHBondContact O-N 2.92Å; S242-K245 WeakPolarHBondContact OG-CD 3.47Å; S242-K245 WeakPolarHBondContact OG-CG 3.34Å; S242-Y246 PolarHBondContact O-N 2.69Å; S242-C290 CarbonylContact C-O 3.48Å; S242-C290 WeakPolarHBondContact CA-O 3.35Å |
| 243 | M | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -34.1 | -174.5 | -174.1 | 64.6 | -170.6 | 0 | 0 | 111.8 | Y246 L247 L252 L260 A287 C290 V292 V302 F356 | M243-Y246 PolarHBondContact O-N 2.98Å; M243-Y246 HydrophobicContact SD-CD1 4.44Å; M243-L247 HydrophobicContact CE-CD1 3.85Å; M243-L247 HydrophobicContact CE-CD2 3.47Å; M243-L247 VanDerWaalsContact CE-CD2 3.47Å; M243-L247 HydrophobicContact CE-CG 3.49Å; M243-L247 VanDerWaalsContact CE-CG 3.49Å; M243-L247 HydrophobicContact CG-CD1 3.85Å; M243-L247 HydrophobicContact CG-CG 4.16Å; M243-L247 VanDerWaalsContact O-CB 3.3Å; M243-L247 WeakPolarHBondContact O-CB 3.47Å; M243-L247 WeakPolarHBondContact O-CD1 3.31Å; M243-L247 WeakPolarHBondContact O-CG 3.49Å; M243-L247 PolarHBondContact O-N 3.18Å; M243-L247 HydrophobicContact SD-CG 4.26Å; M243-L252 HydrophobicContact CE-CD1 4.1Å; M243-L260 HydrophobicContact CE-CB 4.48Å; M243-L260 HydrophobicContact CE-CD1 3.78Å; M243-L260 HydrophobicContact SD-CD1 4.34Å; M243-A287 HydrophobicContact CB-CB 4.5Å; M243-A287 WeakPolarHBondContact CB-O 3.28Å; M243-A287 PolarHBondContact N-O 3.28Å; M243-C290 HydrophobicContact CB-CB 3.78Å; M243-C290 PolarHBondContact N-O 3.01Å; M243-V292 HydrophobicContact CB-CG2 4.11Å; M243-V292 HydrophobicContact CG-CG2 4.41Å; M243-V292 HydrophobicContact SD-CG2 3.39Å; M243-V292 WeakPolarHBondContact SD-CG2 3.49Å; M243-V302 HydrophobicContact CG-CG2 4.48Å; M243-V302 HydrophobicContact SD-CG2 3.8Å; M243-F356 HydrophobicContact CE-CD1 3.53Å; M243-F356 HydrophobicContact CE-CE1 3.29Å; M243-F356 HydrophobicContact CE-CG 4.38Å; M243-F356 HydrophobicContact CE-CZ 4Å; M243-F356 HydrophobicContact CG-CE1 4.08Å; M243-F356 HydrophobicContact CG-CE2 4.12Å; M243-F356 HydrophobicContact CG-CZ 3.77Å; M243-F356 HydrophobicContact SD-CE1 4.07Å; M243-F356 HydrophobicContact SD-CZ 4.26Å |
| 244 | D | 97.9 | Very high | 96.1 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.9 | 71.9 | -43.3 | 0 | 0 | 0 | 112.8 | S242 R248 A287 A360 | S242-D244 VanDerWaalsContact C-N 3.27Å; S242-D244 WeakPolarHBondContact CB-OD1 3.34Å; S242-D244 PolarHBondContact O-N 2.89Å; S242-D244 PolarHBondContact OG-OD1 3.44Å; D244-R248 WeakPolarHBondContact O-CG 3.48Å; D244-R248 VanDerWaalsContact O-CZ 3.26Å; D244-R248 PolarHBondContact O-N 3.37Å; D244-R248 PolarHBondContact O-NE 3.2Å; D244-R248 IonicContact OD2-CZ 3.83Å; D244-R248 IonicContact OD2-NH1 2.75Å; D244-R248 IonicContact OD2-NH2 3.77Å; D244-R248 PolarHBondContact OD2-NH2 3.02Å; D244-A287 HydrophobicContact CB-CB 3.84Å; D244-A287 PolarHBondContact N-O 3.23Å; D244-A360 HydrophobicContact CB-CB 3.9Å |
| 245 | K | 97 | Very high | 96 | Very high | 138 Ų | 138 | 53.3 Ų | 53.3 | 60% | 0.6 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.9 | -46.2 | 173.9 | -69.6 | 179.4 | -176.2 | 175.8 | 0 | 110.1 | S242 L247 R248 T249 | S242-K245 PolarHBondContact O-N 2.92Å; S242-K245 WeakPolarHBondContact OG-CD 3.47Å; S242-K245 WeakPolarHBondContact OG-CG 3.34Å; K245-L247 PolarHBondContact O-N 3.42Å; K245-R248 PolarHBondContact O-N 3.11Å; K245-T249 PolarHBondContact O-N 3.14Å; K245-T249 VanDerWaalsContact O-N 3.11Å; K245-T249 PolarHBondContact O-OG1 2.93Å; K245-T249 VanDerWaalsContact O-OG1 3.06Å |
| 246 | Y | 97.6 | Very high | 96 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.8 | -46.9 | -179 | -167.1 | -99.6 | 0 | 0 | 0 | 112.3 | S242 M243 R248 T249 T250 L252 V292 I294 P299 | S242-Y246 PolarHBondContact O-N 2.69Å; M243-Y246 PolarHBondContact O-N 2.98Å; M243-Y246 HydrophobicContact SD-CD1 4.44Å; Y246-R248 VanDerWaalsContact C-N 3.32Å; Y246-R248 PolarHBondContact O-N 3.46Å; Y246-T249 PolarHBondContact O-N 2.88Å; Y246-T249 PolarHBondContact O-OG1 3.02Å; Y246-T250 HydrophobicContact CE1-CG2 4.12Å; Y246-T250 VanDerWaalsContact O-CB 3.27Å; Y246-T250 WeakPolarHBondContact O-CB 3.43Å; Y246-T250 PolarHBondContact O-N 2.87Å; Y246-T250 PolarHBondContact O-OG1 2.75Å; Y246-L252 HydrophobicContact CD1-CD1 4.15Å; Y246-L252 HydrophobicContact CE1-CD1 3.92Å; Y246-L252 HydrophobicContact CE1-CD2 3.97Å; Y246-L252 HydrophobicContact CE1-CG 4.33Å; Y246-V292 HydrophobicContact CD1-CG1 4.27Å; Y246-V292 HydrophobicContact CD1-CG2 4.07Å; Y246-V292 HydrophobicContact CE1-CG1 4.22Å; Y246-V292 HydrophobicContact CG-CB 4.44Å; Y246-V292 HydrophobicContact CG-CG1 4.47Å; Y246-V292 HydrophobicContact CG-CG2 3.9Å; Y246-I294 HydrophobicContact CE2-CD1 3.65Å; Y246-P299 HydrophobicContact CE1-CB 3.97Å; Y246-P299 HydrophobicContact CE1-CG 4.09Å; Y246-P299 WeakPolarHBondContact OH-CD 3.29Å; Y246-P299 WeakPolarHBondContact OH-CG 3.47Å |
| 247 | L | 97.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -39.2 | 176.6 | -77.9 | 167.3 | 0 | 0 | 0 | 113 | M243 K245 L252 A360 | M243-L247 HydrophobicContact CE-CD1 3.85Å; M243-L247 HydrophobicContact CE-CD2 3.47Å; M243-L247 VanDerWaalsContact CE-CD2 3.47Å; M243-L247 HydrophobicContact CE-CG 3.49Å; M243-L247 VanDerWaalsContact CE-CG 3.49Å; M243-L247 HydrophobicContact CG-CD1 3.85Å; M243-L247 HydrophobicContact CG-CG 4.16Å; M243-L247 VanDerWaalsContact O-CB 3.3Å; M243-L247 WeakPolarHBondContact O-CB 3.47Å; M243-L247 WeakPolarHBondContact O-CD1 3.31Å; M243-L247 WeakPolarHBondContact O-CG 3.49Å; M243-L247 PolarHBondContact O-N 3.18Å; M243-L247 HydrophobicContact SD-CG 4.26Å; K245-L247 PolarHBondContact O-N 3.42Å; L247-L252 HydrophobicContact CD2-CD1 4.19Å; L247-A360 HydrophobicContact CB-CB 4.12Å; L247-A360 HydrophobicContact CD1-CB 4.09Å |
| 248 | R | 97 | Very high | 96.2 | Very high | 136 Ų | 136 | 49.4 Ų | 49.4 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -72.3 | -28.5 | 178.9 | -74.1 | -173.6 | -69.4 | -101.5 | -0.1 | 113.2 | D244 K245 Y246 D359 A360 | D244-R248 WeakPolarHBondContact O-CG 3.48Å; D244-R248 VanDerWaalsContact O-CZ 3.26Å; D244-R248 PolarHBondContact O-N 3.37Å; D244-R248 PolarHBondContact O-NE 3.2Å; D244-R248 IonicContact OD2-CZ 3.83Å; D244-R248 IonicContact OD2-NH1 2.75Å; D244-R248 IonicContact OD2-NH2 3.77Å; D244-R248 PolarHBondContact OD2-NH2 3.02Å; K245-R248 PolarHBondContact O-N 3.11Å; Y246-R248 VanDerWaalsContact C-N 3.32Å; Y246-R248 PolarHBondContact O-N 3.46Å; R248-D359 VanDerWaalsContact CG-O 3.26Å; R248-D359 WeakPolarHBondContact CG-O 3.48Å; R248-A360 HydrophobicContact CG-CB 4.31Å; R248-A360 PolarHBondContact NH1-O 3.48Å |
| 249 | T | 95.8 | Very high | 96.3 | Very high | 114 Ų | 114 | 52 Ų | 52 | 70% | 0.699 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -101.5 | -12.8 | -176.3 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | K245 Y246 | K245-T249 PolarHBondContact O-N 3.14Å; K245-T249 VanDerWaalsContact O-N 3.11Å; K245-T249 PolarHBondContact O-OG1 2.93Å; K245-T249 VanDerWaalsContact O-OG1 3.06Å; Y246-T249 PolarHBondContact O-N 2.88Å; Y246-T249 PolarHBondContact O-OG1 3.02Å |
| 250 | T | 95.3 | Very high | 96.5 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -133.7 | 121.6 | -173 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | Y246 L252 | Y246-T250 HydrophobicContact CE1-CG2 4.12Å; Y246-T250 VanDerWaalsContact O-CB 3.27Å; Y246-T250 WeakPolarHBondContact O-CB 3.43Å; Y246-T250 PolarHBondContact O-N 2.87Å; Y246-T250 PolarHBondContact O-OG1 2.75Å; T250-L252 HydrophobicContact CG2-CD2 3.86Å; T250-L252 HydrophobicContact CG2-CG 4.48Å; T250-L252 PolarHBondContact O-N 3.26Å |
| 251 | K | 94.3 | Very high | 96.7 | Very high | 174 Ų | 174 | 48.1 Ų | 48.1 | 76% | 0.757 | 24% | 0.242 | S | C | * | . | trans | -77.1 | 115.6 | 174.9 | -69.8 | -63.4 | -179.1 | -177.4 | 0 | 110.2 | D359 | K251-D359 IonicContact NZ-OD2 2.7Å; K251-D359 PolarHBondContact NZ-OD2 3.41Å | ||
| 252 | L | 96.1 | Very high | 96.9 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | trans | -109.7 | 141.2 | 178.2 | -59.3 | -179.2 | 0 | 0 | 0 | 110 | M243 Y246 L247 T250 V256 K257 L260 P299 | M243-L252 HydrophobicContact CE-CD1 4.1Å; Y246-L252 HydrophobicContact CD1-CD1 4.15Å; Y246-L252 HydrophobicContact CE1-CD1 3.92Å; Y246-L252 HydrophobicContact CE1-CD2 3.97Å; Y246-L252 HydrophobicContact CE1-CG 4.33Å; L247-L252 HydrophobicContact CD2-CD1 4.19Å; T250-L252 HydrophobicContact CG2-CD2 3.86Å; T250-L252 HydrophobicContact CG2-CG 4.48Å; T250-L252 PolarHBondContact O-N 3.26Å; L252-V256 HydrophobicContact CB-CB 4.45Å; L252-V256 HydrophobicContact CB-CG1 4.42Å; L252-V256 HydrophobicContact CD1-CG1 4.33Å; L252-V256 HydrophobicContact CD2-CG1 4.09Å; L252-K257 HydrophobicContact CB-CG 3.82Å; L252-K257 HydrophobicContact CD1-CG 4.5Å; L252-K257 WeakPolarHBondContact O-CE 3.41Å; L252-L260 HydrophobicContact CD1-CD1 3.91Å; L252-P299 HydrophobicContact CD2-CG 4.12Å | ||
| 253 | T | 95.9 | Very high | 97 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | trans | -68 | 156.1 | 172.2 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | Y255 V256 K257 | T253-Y255 PolarHBondContact O-N 3.37Å; T253-Y255 VanDerWaalsContact O-N 3.17Å; T253-V256 PolarHBondContact O-N 3.38Å; T253-V256 WeakPolarHBondContact OG1-CG2 3.35Å; T253-V256 PolarHBondContact OG1-N 2.87Å; T253-K257 PolarHBondContact O-N 3.32Å | ||
| 254 | P | 96.7 | Very high | 97 | Very high | 40 Ų | 40 | 46.8 Ų | 46.8 | 26% | 0.26 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -52.5 | -37.2 | 174.9 | -30.4 | 37.5 | 0 | 0 | 0 | 113.6 | K257 L258 F357 E390 M427 | P254-K257 PolarHBondContact O-N 3.49Å; P254-L258 WeakPolarHBondContact O-CB 3.36Å; P254-L258 PolarHBondContact O-N 3.04Å; P254-F357 HydrophobicContact CB-CE1 4.26Å; P254-E390 WeakPolarHBondContact CB-O 3.38Å; P254-E390 HydrophobicContact CG-CB 4.15Å; P254-M427 HydrophobicContact CB-CE 4.08Å |
| 255 | Y | 96.3 | Very high | 97 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.6 | -47.8 | 176.2 | 177.4 | -97.5 | 0 | 0 | 0 | 112.2 | T253 L258 R259 L424 M427 K428 | T253-Y255 PolarHBondContact O-N 3.37Å; T253-Y255 VanDerWaalsContact O-N 3.17Å; Y255-L258 PolarHBondContact O-N 3.23Å; Y255-R259 PolarHBondContact O-N 2.75Å; Y255-L424 HydrophobicContact CD2-CD1 3.61Å; Y255-L424 HydrophobicContact CE2-CD1 3.44Å; Y255-L424 VanDerWaalsContact CE2-CD1 3.44Å; Y255-L424 HydrophobicContact CE2-CG 4.05Å; Y255-L424 HydrophobicContact CG-CD1 4.32Å; Y255-M427 HydrophobicContact CD2-CB 4.02Å; Y255-K428 HydrophobicContact CE2-CB 3.94Å; Y255-K428 HydrophobicContact CE2-CG 4.46Å |
| 256 | V | 96.8 | Very high | 97 | Very high | 26 Ų | 26 | 43 Ų | 43 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67 | -42.3 | 178.9 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | L252 T253 L258 R259 L260 P299 | L252-V256 HydrophobicContact CB-CB 4.45Å; L252-V256 HydrophobicContact CB-CG1 4.42Å; L252-V256 HydrophobicContact CD1-CG1 4.33Å; L252-V256 HydrophobicContact CD2-CG1 4.09Å; T253-V256 PolarHBondContact O-N 3.38Å; T253-V256 WeakPolarHBondContact OG1-CG2 3.35Å; T253-V256 PolarHBondContact OG1-N 2.87Å; V256-L258 VanDerWaalsContact C-N 3.33Å; V256-L258 PolarHBondContact O-N 3.2Å; V256-R259 PolarHBondContact O-N 3.26Å; V256-L260 HydrophobicContact CG1-CD1 4.06Å; V256-L260 HydrophobicContact CG1-CG 4.33Å; V256-L260 VanDerWaalsContact O-CG 3.3Å; V256-L260 WeakPolarHBondContact O-CG 3.44Å; V256-L260 PolarHBondContact O-N 2.71Å; V256-P299 HydrophobicContact CG1-CG 3.95Å |
| 257 | K | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55 | -48.7 | 174.3 | -70.9 | 173.3 | 171.2 | -178.7 | 0 | 111.1 | L252 T253 P254 L260 A261 F356 F357 D359 E390 | L252-K257 HydrophobicContact CB-CG 3.82Å; L252-K257 HydrophobicContact CD1-CG 4.5Å; L252-K257 WeakPolarHBondContact O-CE 3.41Å; T253-K257 PolarHBondContact O-N 3.32Å; P254-K257 PolarHBondContact O-N 3.49Å; K257-L260 PolarHBondContact O-N 3.34Å; K257-A261 WeakPolarHBondContact O-CB 3.06Å; K257-A261 PolarHBondContact O-N 2.73Å; K257-F356 VanDerWaalsContact CD-O 3.29Å; K257-F356 WeakPolarHBondContact CD-O 3.49Å; K257-F356 WeakPolarHBondContact CE-O 3.42Å; K257-F356 WeakPolarHBondContact O-CD1 3.25Å; K257-F357 HydrophobicContact CB-CD1 4.5Å; K257-F357 HydrophobicContact CB-CE1 4.09Å; K257-F357 HydrophobicContact CB-CZ 4.18Å; K257-F357 HydrophobicContact CD-CD1 4.11Å; K257-F357 HydrophobicContact CD-CE1 4.39Å; K257-D359 WeakPolarHBondContact CE-OD1 3.22Å; K257-D359 IonicContact NZ-OD1 2.68Å; K257-D359 PolarHBondContact NZ-OD1 3.47Å; K257-E390 IonicContact NZ-OE2 2.91Å; K257-E390 PolarHBondContact NZ-OE2 3.11Å |
| 258 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 179 | -175 | 59 | 0 | 0 | 0 | 112.1 | P254 Y255 V256 L260 A261 V262 F357 P392 A395 L420 L424 M427 | P254-L258 WeakPolarHBondContact O-CB 3.36Å; P254-L258 PolarHBondContact O-N 3.04Å; Y255-L258 PolarHBondContact O-N 3.23Å; V256-L258 VanDerWaalsContact C-N 3.33Å; V256-L258 PolarHBondContact O-N 3.2Å; L258-L260 VanDerWaalsContact C-N 3.32Å; L258-L260 PolarHBondContact O-N 3.27Å; L258-A261 PolarHBondContact O-N 3.09Å; L258-V262 HydrophobicContact CD1-CG2 4.44Å; L258-V262 HydrophobicContact CG-CG2 4.46Å; L258-V262 VanDerWaalsContact O-CG2 3.3Å; L258-V262 WeakPolarHBondContact O-CG2 3.28Å; L258-V262 PolarHBondContact O-N 2.82Å; L258-F357 HydrophobicContact CB-CZ 4.15Å; L258-P392 HydrophobicContact CD2-CG 4.34Å; L258-A395 HydrophobicContact CD1-CB 4.07Å; L258-L420 HydrophobicContact CD1-CB 4.26Å; L258-L420 HydrophobicContact CD1-CD2 4Å; L258-L424 HydrophobicContact CB-CD1 4.11Å; L258-L424 HydrophobicContact CD2-CB 3.96Å; L258-L424 HydrophobicContact CD2-CD1 4.16Å; L258-L424 HydrophobicContact CG-CB 4.22Å; L258-L424 HydrophobicContact CG-CD1 4.1Å; L258-M427 HydrophobicContact CD2-SD 3.62Å |
| 259 | R | 97.3 | Very high | 96.6 | Very high | 63 Ų | 63 | 35.5 Ų | 35.5 | 24% | 0.238 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.7 | -44.4 | 177.2 | -177.5 | -178.1 | 66.9 | 176.6 | -3.2 | 112.5 | Y255 V256 V262 S263 P299 L424 | Y255-R259 PolarHBondContact O-N 2.75Å; V256-R259 PolarHBondContact O-N 3.26Å; R259-V262 PolarHBondContact O-N 2.88Å; R259-S263 PolarHBondContact O-N 3.46Å; R259-S263 PolarHBondContact O-OG 3.31Å; R259-P299 PolarHBondContact NH2-O 3.41Å; R259-L424 HydrophobicContact CB-CD1 3.97Å; R259-L424 HydrophobicContact CB-CD2 3.91Å; R259-L424 HydrophobicContact CG-CD2 4.06Å |
| 260 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.2 | -40.1 | 178.2 | -64.2 | 177.1 | 0 | 0 | 0 | 111.1 | M243 L252 V256 K257 L258 V262 S263 A264 P299 V302 F356 | M243-L260 HydrophobicContact CE-CB 4.48Å; M243-L260 HydrophobicContact CE-CD1 3.78Å; M243-L260 HydrophobicContact SD-CD1 4.34Å; L252-L260 HydrophobicContact CD1-CD1 3.91Å; V256-L260 HydrophobicContact CG1-CD1 4.06Å; V256-L260 HydrophobicContact CG1-CG 4.33Å; V256-L260 VanDerWaalsContact O-CG 3.3Å; V256-L260 WeakPolarHBondContact O-CG 3.44Å; V256-L260 PolarHBondContact O-N 2.71Å; K257-L260 PolarHBondContact O-N 3.34Å; L258-L260 VanDerWaalsContact C-N 3.32Å; L258-L260 PolarHBondContact O-N 3.27Å; L260-V262 VanDerWaalsContact C-N 3.33Å; L260-V262 PolarHBondContact O-N 3.23Å; L260-S263 WeakPolarHBondContact O-CB 3.39Å; L260-S263 PolarHBondContact O-N 2.93Å; L260-A264 PolarHBondContact O-N 3.48Å; L260-P299 HydrophobicContact CD1-CB 4Å; L260-P299 HydrophobicContact CD1-CG 4.36Å; L260-P299 HydrophobicContact CD2-CB 4.18Å; L260-V302 HydrophobicContact CB-CG2 3.83Å; L260-V302 HydrophobicContact CD1-CG2 4.49Å; L260-V302 HydrophobicContact CD2-CG2 4.17Å; L260-V302 HydrophobicContact CG-CG2 4.37Å; L260-F356 HydrophobicContact CB-CD1 4.42Å; L260-F356 HydrophobicContact CB-CE1 3.64Å |
| 261 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -37.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K257 L258 S263 A264 A265 L353 F356 | K257-A261 WeakPolarHBondContact O-CB 3.06Å; K257-A261 PolarHBondContact O-N 2.73Å; L258-A261 PolarHBondContact O-N 3.09Å; A261-S263 VanDerWaalsContact C-N 3.33Å; A261-S263 PolarHBondContact O-N 2.87Å; A261-A264 PolarHBondContact O-N 3.04Å; A261-A265 WeakPolarHBondContact O-CB 3.5Å; A261-A265 PolarHBondContact O-N 2.97Å; A261-L353 HydrophobicContact CB-CD1 3.74Å; A261-F356 HydrophobicContact CB-CD1 3.95Å; A261-F356 HydrophobicContact CB-CE1 4.09Å; A261-F356 HydrophobicContact CB-CG 4.21Å; A261-F356 HydrophobicContact CB-CZ 4.46Å |
| 262 | V | 98 | Very high | 96.1 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.024 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 173.6 | 167.5 | 0 | 0 | 0 | 0 | 111.4 | L258 R259 L260 A264 A265 Q266 L420 Q421 L424 | L258-V262 HydrophobicContact CD1-CG2 4.44Å; L258-V262 HydrophobicContact CG-CG2 4.46Å; L258-V262 VanDerWaalsContact O-CG2 3.3Å; L258-V262 WeakPolarHBondContact O-CG2 3.28Å; L258-V262 PolarHBondContact O-N 2.82Å; R259-V262 PolarHBondContact O-N 2.88Å; L260-V262 VanDerWaalsContact C-N 3.33Å; L260-V262 PolarHBondContact O-N 3.23Å; V262-A264 VanDerWaalsContact C-N 3.34Å; V262-A264 PolarHBondContact O-N 2.78Å; V262-A265 WeakPolarHBondContact O-CB 3.5Å; V262-A265 PolarHBondContact O-N 2.88Å; V262-Q266 HydrophobicContact CG1-CG 4.4Å; V262-Q266 VanDerWaalsContact O-CG 3.29Å; V262-Q266 WeakPolarHBondContact O-CG 3.4Å; V262-Q266 PolarHBondContact O-N 3.2Å; V262-L420 HydrophobicContact CG2-CB 3.64Å; V262-Q421 HydrophobicContact CG1-CB 4.25Å; V262-L424 HydrophobicContact CG2-CD2 4.47Å |
| 263 | S | 97.1 | Very high | 95.5 | Very high | 19 Ų | 19 | 25.5 Ų | 25.5 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | R259 L260 A261 Q266 G267 | R259-S263 PolarHBondContact O-N 3.46Å; R259-S263 PolarHBondContact O-OG 3.31Å; L260-S263 WeakPolarHBondContact O-CB 3.39Å; L260-S263 PolarHBondContact O-N 2.93Å; A261-S263 VanDerWaalsContact C-N 3.33Å; A261-S263 PolarHBondContact O-N 2.87Å; S263-Q266 PolarHBondContact O-N 3.37Å; S263-G267 PolarHBondContact O-N 3.37Å; S263-G267 VanDerWaalsContact O-N 3.1Å |
| 264 | A | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L260 A261 V262 Q266 G267 I268 V302 V304 F349 | L260-A264 PolarHBondContact O-N 3.48Å; A261-A264 PolarHBondContact O-N 3.04Å; V262-A264 VanDerWaalsContact C-N 3.34Å; V262-A264 PolarHBondContact O-N 2.78Å; A264-Q266 VanDerWaalsContact C-N 3.34Å; A264-Q266 PolarHBondContact O-N 3.02Å; A264-G267 PolarHBondContact O-N 3.32Å; A264-G267 VanDerWaalsContact O-N 3.15Å; A264-I268 WeakPolarHBondContact O-CG1 3.3Å; A264-I268 PolarHBondContact O-N 3.43Å; A264-V302 HydrophobicContact CB-CG1 4.09Å; A264-V304 HydrophobicContact CB-CG2 4.25Å; A264-F349 HydrophobicContact CB-CE2 3.96Å; A264-F349 HydrophobicContact CB-CZ 4.45Å |
| 265 | A | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A261 V262 G267 I268 A269 F349 M413 A417 L420 | A261-A265 WeakPolarHBondContact O-CB 3.5Å; A261-A265 PolarHBondContact O-N 2.97Å; V262-A265 WeakPolarHBondContact O-CB 3.5Å; V262-A265 PolarHBondContact O-N 2.88Å; A265-G267 VanDerWaalsContact C-N 3.32Å; A265-G267 PolarHBondContact O-N 3.42Å; A265-I268 PolarHBondContact O-N 2.78Å; A265-A269 VanDerWaalsContact O-CB 3.29Å; A265-A269 WeakPolarHBondContact O-CB 3.46Å; A265-A269 PolarHBondContact O-N 3.1Å; A265-F349 HydrophobicContact CB-CE1 3.95Å; A265-F349 HydrophobicContact CB-CE2 4.06Å; A265-F349 HydrophobicContact CB-CZ 3.45Å; A265-F349 VanDerWaalsContact CB-CZ 3.45Å; A265-M413 HydrophobicContact CB-CE 3.95Å; A265-A417 HydrophobicContact CB-CB 3.86Å; A265-L420 HydrophobicContact CB-CD1 4.32Å |
| 266 | Q | 96.3 | Very high | 90.5 | Very high | 81 Ų | 81 | 31.5 Ų | 31.5 | 38% | 0.379 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.7 | -38.8 | 176.1 | -71.6 | 171.4 | -3.6 | 0 | 0 | 111.8 | V262 S263 A264 A269 H270 A417 | V262-Q266 HydrophobicContact CG1-CG 4.4Å; V262-Q266 VanDerWaalsContact O-CG 3.29Å; V262-Q266 WeakPolarHBondContact O-CG 3.4Å; V262-Q266 PolarHBondContact O-N 3.2Å; S263-Q266 PolarHBondContact O-N 3.37Å; A264-Q266 VanDerWaalsContact C-N 3.34Å; A264-Q266 PolarHBondContact O-N 3.02Å; Q266-A269 PolarHBondContact O-N 3.49Å; Q266-H270 WeakPolarHBondContact O-CB 3.21Å; Q266-H270 PolarHBondContact O-N 2.87Å; Q266-A417 HydrophobicContact CG-CB 4.18Å |
| 267 | G | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.1 | -49.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N215 S263 A264 A265 H270 I271 | N215-G267 WeakPolarHBondContact OD1-CA 3.22Å; S263-G267 PolarHBondContact O-N 3.37Å; S263-G267 VanDerWaalsContact O-N 3.1Å; A264-G267 PolarHBondContact O-N 3.32Å; A264-G267 VanDerWaalsContact O-N 3.15Å; A265-G267 VanDerWaalsContact C-N 3.32Å; A265-G267 PolarHBondContact O-N 3.42Å; G267-H270 WeakPolarHBondContact O-CB 3.47Å; G267-H270 PolarHBondContact O-N 2.77Å; G267-I271 PolarHBondContact O-N 2.8Å |
| 268 | I | 95.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.7 | -39.3 | 179.2 | -52.1 | -48.6 | 0 | 0 | 0 | 111.7 | A264 A265 H270 I271 H272 L285 V304 F349 M413 | A264-I268 WeakPolarHBondContact O-CG1 3.3Å; A264-I268 PolarHBondContact O-N 3.43Å; A265-I268 PolarHBondContact O-N 2.78Å; I268-H270 PolarHBondContact O-N 3.22Å; I268-I271 HydrophobicContact CD1-CD1 3.98Å; I268-I271 HydrophobicContact CG2-CD1 4.42Å; I268-I271 HydrophobicContact CG2-CG1 4.41Å; I268-I271 VanDerWaalsContact O-CG1 3.31Å; I268-I271 WeakPolarHBondContact O-CG1 3.27Å; I268-I271 PolarHBondContact O-N 3.01Å; I268-H272 WeakPolarHBondContact O-CB 3.18Å; I268-H272 PolarHBondContact O-N 2.74Å; I268-L285 HydrophobicContact CD1-CD1 4.08Å; I268-L285 HydrophobicContact CD1-CD2 3.37Å; I268-L285 HydrophobicContact CD1-CG 4.37Å; I268-L285 HydrophobicContact CG1-CD1 4Å; I268-L285 HydrophobicContact CG1-CD2 4.03Å; I268-L285 HydrophobicContact CG2-CD1 4.1Å; I268-V304 HydrophobicContact CD1-CB 4.15Å; I268-V304 HydrophobicContact CD1-CG1 3.78Å; I268-V304 HydrophobicContact CD1-CG2 3.71Å; I268-V304 HydrophobicContact CG1-CG2 4.36Å; I268-F349 HydrophobicContact CG1-CD2 4.07Å; I268-F349 HydrophobicContact CG1-CE2 4.43Å; I268-M413 HydrophobicContact CB-CE 4.06Å; I268-M413 HydrophobicContact CB-CG 4.23Å; I268-M413 HydrophobicContact CG2-CB 4.31Å; I268-M413 HydrophobicContact CG2-CE 4.42Å; I268-M413 HydrophobicContact CG2-CG 3.67Å |
| 269 | A | 94.8 | Very high | 86 | Confident | 11 Ų | 11 | 40 Ų | 40 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.9 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A265 Q266 K273 M413 A417 | A265-A269 VanDerWaalsContact O-CB 3.29Å; A265-A269 WeakPolarHBondContact O-CB 3.46Å; A265-A269 PolarHBondContact O-N 3.1Å; Q266-A269 PolarHBondContact O-N 3.49Å; A269-K273 VanDerWaalsContact O-CG 3.28Å; A269-K273 WeakPolarHBondContact O-CG 3.43Å; A269-K273 PolarHBondContact O-N 3.36Å; A269-M413 HydrophobicContact CB-CB 4.15Å; A269-A417 HydrophobicContact CB-CB 4.27Å |
| 270 | H | 91.7 | Very high | 85.5 | Confident | 28 Ų | 28 | 37 Ų | 37 | 13% | 0.13 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 176.3 | 175.5 | 79.5 | 0 | 0 | 0 | 112.9 | N215 Q266 G267 I268 H272 K273 | N215-H270 HydrophobicContact CB-CB 4.09Å; N215-H270 VanDerWaalsContact CB-CD2 3.48Å; N215-H270 WeakPolarHBondContact CB-CD2 3.49Å; Q266-H270 WeakPolarHBondContact O-CB 3.21Å; Q266-H270 PolarHBondContact O-N 2.87Å; G267-H270 WeakPolarHBondContact O-CB 3.47Å; G267-H270 PolarHBondContact O-N 2.77Å; I268-H270 PolarHBondContact O-N 3.22Å; H270-H272 VanDerWaalsContact C-N 3.26Å; H270-H272 PolarHBondContact O-N 3.02Å; H270-K273 WeakPolarHBondContact O-CB 3.32Å; H270-K273 PolarHBondContact O-N 2.76Å |
| 271 | I | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.9 | -23 | -178.2 | 74.3 | 179 | 0 | 0 | 0 | 112.8 | L213 V218 G267 I268 K273 I280 H282 F307 | L213-I271 HydrophobicContact CD1-CG2 3.8Å; L213-I271 HydrophobicContact CD2-CB 4.21Å; L213-I271 HydrophobicContact CD2-CG2 3.66Å; L213-I271 HydrophobicContact CG-CG2 4.28Å; V218-I271 HydrophobicContact CG2-CG2 4.04Å; G267-I271 PolarHBondContact O-N 2.8Å; I268-I271 HydrophobicContact CD1-CD1 3.98Å; I268-I271 HydrophobicContact CG2-CD1 4.42Å; I268-I271 HydrophobicContact CG2-CG1 4.41Å; I268-I271 VanDerWaalsContact O-CG1 3.31Å; I268-I271 WeakPolarHBondContact O-CG1 3.27Å; I268-I271 PolarHBondContact O-N 3.01Å; I271-K273 VanDerWaalsContact C-N 3.35Å; I271-I280 HydrophobicContact CB-CB 4.24Å; I271-I280 HydrophobicContact CD1-CG2 4.43Å; I271-I280 PolarHBondContact O-N 3.42Å; I271-I280 VanDerWaalsContact O-N 3.07Å; I271-H282 HydrophobicContact CD1-CB 4.1Å; I271-F307 HydrophobicContact CD1-CE1 3.91Å; I271-F307 HydrophobicContact CG2-CE1 4.31Å |
| 272 | H | 91.7 | Very high | 84.8 | Confident | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -11.5 | 173.8 | -75.4 | -173.7 | 0 | 0 | 0 | 113.7 | I268 H270 I280 Q342 D345 | I268-H272 WeakPolarHBondContact O-CB 3.18Å; I268-H272 PolarHBondContact O-N 2.74Å; H270-H272 VanDerWaalsContact C-N 3.26Å; H270-H272 PolarHBondContact O-N 3.02Å; H272-I280 PolarHBondContact CD2-O 2.72Å; H272-Q342 HydrophobicContact CB-CG 4.37Å; H272-Q342 PolarHBondContact CE1-O 3.5Å; H272-Q342 PolarHBondContact O-NE2 2.83Å; H272-D345 IonicContact CD2-OD2 3.54Å; H272-D345 VanDerWaalsContact CE1-CB 3.47Å; H272-D345 WeakPolarHBondContact CE1-CB 3.5Å; H272-D345 IonicContact CE1-OD2 2.97Å; H272-D345 WeakPolarHBondContact NE2-CB 3.36Å; H272-D345 IonicContact NE2-OD2 3.67Å; H272-D345 PolarHBondContact NE2-OD2 2.92Å |
| 273 | K | 85.2 | Confident | 84.5 | Confident | 101 Ų | 101 | 37 Ų | 37 | 44% | 0.439 | 18% | 0.178 | S | C | . | . | trans | -63.8 | 140.7 | -179 | -65.3 | -169.3 | 177.3 | -175.6 | 0 | 111.9 | A269 H270 I271 D275 E279 | A269-K273 VanDerWaalsContact O-CG 3.28Å; A269-K273 WeakPolarHBondContact O-CG 3.43Å; A269-K273 PolarHBondContact O-N 3.36Å; H270-K273 WeakPolarHBondContact O-CB 3.32Å; H270-K273 PolarHBondContact O-N 2.76Å; I271-K273 VanDerWaalsContact C-N 3.35Å; K273-D275 WeakPolarHBondContact CB-OD1 3.44Å; K273-E279 PolarHBondContact O-N 2.74Å | ||
| 274 | N | 63.4 | Low | 84.3 | Confident | 85 Ų | 85 | 37.1 Ų | 37.1 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -34.4 | -176.2 | -164.9 | -19.6 | 0 | 0 | 0 | 112.7 | L276 Y277 E279 | N274-L276 PolarHBondContact O-N 2.8Å; N274-Y277 PolarHBondContact O-N 2.94Å; N274-E279 HydrophobicContact CB-CG 4.36Å; N274-E279 PolarHBondContact ND2-OE1 2.83Å; N274-E279 PolarHBondContact OD1-OE1 3.27Å |
| 275 | D | 62.3 | Low | 84.2 | Confident | 114 Ų | 114 | 37.2 Ų | 37.2 | 61% | 0.61 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.2 | -173.4 | 56.4 | -8 | 0 | 0 | 0 | 114.4 | K273 | K273-D275 WeakPolarHBondContact CB-OD1 3.44Š|
| 276 | L | 57.4 | Low | 84.2 | Confident | 112 Ų | 112 | 37.2 Ų | 37.2 | 59% | 0.586 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 14.7 | 177.2 | -65.1 | 174.6 | 0 | 0 | 0 | 114.1 | N274 L278 | N274-L276 PolarHBondContact O-N 2.8Å; L276-L278 HydrophobicContact CB-CD1 4.38Å; L276-L278 HydrophobicContact CB-CG 4.05Å; L276-L278 PolarHBondContact O-N 2.92Å; L276-L278 VanDerWaalsContact O-N 3.11Å |
| 277 | Y | 56.9 | Low | 84.3 | Confident | 176 Ų | 176 | 33.3 Ų | 33.3 | 69% | 0.69 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 26.2 | -175.2 | -52.6 | -87.3 | 0 | 0 | 0 | 113.5 | N274 | N274-Y277 PolarHBondContact O-N 2.94Š|
| 278 | L | 61.4 | Low | 84.3 | Confident | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | trans | -70.3 | -64.6 | 176.1 | -66.4 | 179.2 | 0 | 0 | 0 | 108.1 | K212 L213 L276 I280 R313 | K212-L278 HydrophobicContact CB-CD2 3.81Å; L213-L278 HydrophobicContact CD2-CD1 4.09Å; L213-L278 HydrophobicContact CD2-CD2 4.09Å; L276-L278 HydrophobicContact CB-CD1 4.38Å; L276-L278 HydrophobicContact CB-CG 4.05Å; L276-L278 PolarHBondContact O-N 2.92Å; L276-L278 VanDerWaalsContact O-N 3.11Å; L278-I280 HydrophobicContact CB-CD1 4.17Å; L278-I280 HydrophobicContact CD2-CD1 4.18Å; L278-I280 WeakPolarHBondContact O-CG1 3.06Å; L278-I280 PolarHBondContact O-N 2.86Å; L278-R313 PolarHBondContact O-N 2.82Å | ||
| 279 | E | 80.1 | Confident | 84.3 | Confident | 23 Ų | 23 | 37.6 Ų | 37.6 | 11% | 0.107 | 18% | 0.177 | C | C | . | . | trans | 36.5 | 51.2 | -177.3 | -64.5 | -166.5 | 154.3 | 0 | 0 | 111.9 | K273 N274 R313 T314 K315 | K273-E279 PolarHBondContact O-N 2.74Å; N274-E279 HydrophobicContact CB-CG 4.36Å; N274-E279 PolarHBondContact ND2-OE1 2.83Å; N274-E279 PolarHBondContact OD1-OE1 3.27Å; E279-R313 PolarHBondContact O-N 3.29Å; E279-T314 PolarHBondContact O-N 3.37Å; E279-K315 VanDerWaalsContact CD-CE 3.45Å; E279-K315 WeakPolarHBondContact OE1-CE 3.47Å; E279-K315 IonicContact OE1-NZ 3.19Å; E279-K315 WeakPolarHBondContact OE2-CE 3.37Å; E279-K315 WeakPolarHBondContact OE2-CG 3.41Å | ||
| 280 | I | 87.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -93.6 | 127.9 | -176.9 | -70.8 | 154.2 | 0 | 0 | 0 | 108.9 | I209 L213 I271 H272 L278 F307 R311 D312 | I209-I280 HydrophobicContact CG2-CD1 3.61Å; I209-I280 HydrophobicContact CG2-CG1 3.94Å; I209-I280 HydrophobicContact CG2-CG2 4.04Å; L213-I280 HydrophobicContact CD1-CD1 4.33Å; L213-I280 HydrophobicContact CD2-CD1 3.43Å; L213-I280 VanDerWaalsContact CD2-CD1 3.43Å; L213-I280 HydrophobicContact CG-CD1 4.14Å; I271-I280 HydrophobicContact CB-CB 4.24Å; I271-I280 HydrophobicContact CD1-CG2 4.43Å; I271-I280 PolarHBondContact O-N 3.42Å; I271-I280 VanDerWaalsContact O-N 3.07Å; H272-I280 PolarHBondContact CD2-O 2.72Å; L278-I280 HydrophobicContact CB-CD1 4.17Å; L278-I280 HydrophobicContact CD2-CD1 4.18Å; L278-I280 WeakPolarHBondContact O-CG1 3.06Å; L278-I280 PolarHBondContact O-N 2.86Å; I280-F307 HydrophobicContact CG2-CD1 4.31Å; I280-F307 HydrophobicContact CG2-CE1 4.46Å; I280-R311 WeakPolarHBondContact CA-O 3.5Å; I280-D312 HydrophobicContact CG1-CB 3.92Å | ||
| 281 | L | 89.7 | Confident | 84.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -94.2 | 128.3 | 167 | -53 | -176.3 | 0 | 0 | 0 | 108.7 | R283 S310 R311 T314 W340 T341 Q342 D345 | L281-R283 HydrophobicContact CB-CG 3.78Å; L281-S310 WeakPolarHBondContact O-CA 3.21Å; L281-S310 VanDerWaalsContact O-CB 3.32Å; L281-S310 WeakPolarHBondContact O-CB 3.24Å; L281-S310 PolarHBondContact O-OG 3Å; L281-R311 PolarHBondContact N-O 2.73Å; L281-R311 PolarHBondContact O-N 3.41Å; L281-T314 WeakPolarHBondContact CG-O 3.49Å; L281-W340 HydrophobicContact CD1-CB 4Å; L281-W340 WeakPolarHBondContact CD1-O 3.49Å; L281-T341 VanDerWaalsContact CD2-C 3.4Å; L281-Q342 HydrophobicContact CD2-CB 4.37Å; L281-Q342 HydrophobicContact CD2-CG 3.65Å; L281-Q342 VanDerWaalsContact CD2-N 3.31Å; L281-D345 WeakPolarHBondContact CA-OD2 3.49Å |
| 282 | H | 91.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -76.5 | -45.9 | 178 | -168.9 | -74.9 | 0 | 0 | 0 | 111.7 | I271 D284 L285 V304 C305 D306 F307 S310 D345 | I271-H282 HydrophobicContact CD1-CB 4.1Å; H282-D284 PolarHBondContact CE1-O 3.35Å; H282-D284 VanDerWaalsContact ND1-C 3.32Å; H282-D284 PolarHBondContact ND1-N 3.24Å; H282-D284 PolarHBondContact ND1-O 3.29Å; H282-D284 PolarHBondContact O-N 3.28Å; H282-L285 HydrophobicContact CB-CD1 4.38Å; H282-L285 HydrophobicContact CB-CD2 3.86Å; H282-L285 HydrophobicContact CB-CG 3.88Å; H282-V304 WeakPolarHBondContact NE2-CG1 3.46Å; H282-C305 PolarHBondContact NE2-O 3.02Å; H282-C305 VanDerWaalsContact NE2-O 3.1Å; H282-D306 PolarHBondContact CE1-O 2.9Å; H282-F307 AromaticContact CD2-CE1 3.82Å; H282-S310 PolarHBondContact O-OG 3.21Å; H282-D345 PolarHBondContact N-OD2 3.24Å | ||
| 283 | R | 91.7 | Very high | 85.3 | Confident | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | trans | 68.1 | -9.6 | 174.4 | -53 | 173.6 | 49.9 | -143.7 | -4.9 | 117 | L281 L309 R311 Y317 W340 D345 | L281-R283 HydrophobicContact CB-CG 3.78Å; R283-L309 HydrophobicContact CB-CB 4.19Å; R283-L309 WeakPolarHBondContact CD-O 3.39Å; R283-L309 PolarHBondContact NH1-O 3.07Å; R283-R311 VanDerWaalsContact NH1-CZ 3.34Å; R283-Y317 VanDerWaalsContact NH2-CE1 3.33Å; R283-W340 HydrophobicContact CB-CG 4.4Å; R283-W340 HydrophobicContact CG-CB 4.11Å; R283-W340 HydrophobicContact CG-CG 3.84Å; R283-D345 PolarHBondContact N-OD1 2.81Å | ||
| 284 | D | 93 | Very high | 85.8 | Confident | 22 Ų | 22 | 36 Ų | 36 | 12% | 0.118 | 17% | 0.173 | C | C | . | . | trans | -137 | 52.6 | 172.8 | -162.9 | 29.8 | 0 | 0 | 0 | 113.4 | H282 A286 R288 N289 L309 P326 | H282-D284 PolarHBondContact CE1-O 3.35Å; H282-D284 VanDerWaalsContact ND1-C 3.32Å; H282-D284 PolarHBondContact ND1-N 3.24Å; H282-D284 PolarHBondContact ND1-O 3.29Å; H282-D284 PolarHBondContact O-N 3.28Å; D284-A286 PolarHBondContact O-N 3.32Å; D284-R288 IonicContact OD1-CZ 3.37Å; D284-R288 IonicContact OD1-NH2 3.46Å; D284-R288 PolarHBondContact OD1-NH2 3.07Å; D284-R288 IonicContact OD2-NH2 2.71Å; D284-R288 PolarHBondContact OD2-NH2 3.31Å; D284-N289 PolarHBondContact O-ND2 2.98Å; D284-N289 PolarHBondContact OD2-ND2 3.49Å; D284-L309 HydrophobicContact CB-CD1 4.03Å; D284-L309 HydrophobicContact CB-CG 4.33Å; D284-P326 VanDerWaalsContact OD1-CB 3.32Å; D284-P326 WeakPolarHBondContact OD1-CB 3.43Å; D284-P326 WeakPolarHBondContact OD1-CG 3.35Å | ||
| 285 | L | 96.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -76.2 | 121.8 | 176.8 | -66.1 | 172.4 | 0 | 0 | 0 | 110.9 | I268 H282 V304 D345 F349 | I268-L285 HydrophobicContact CD1-CD1 4.08Å; I268-L285 HydrophobicContact CD1-CD2 3.37Å; I268-L285 HydrophobicContact CD1-CG 4.37Å; I268-L285 HydrophobicContact CG1-CD1 4Å; I268-L285 HydrophobicContact CG1-CD2 4.03Å; I268-L285 HydrophobicContact CG2-CD1 4.1Å; H282-L285 HydrophobicContact CB-CD1 4.38Å; H282-L285 HydrophobicContact CB-CD2 3.86Å; H282-L285 HydrophobicContact CB-CG 3.88Å; L285-V304 HydrophobicContact CD2-CG1 4.01Å; L285-D345 HydrophobicContact CD1-CB 3.97Å; L285-D345 WeakPolarHBondContact CD1-O 3.39Å; L285-F349 HydrophobicContact CD1-CB 4.35Å | ||
| 286 | A | 97.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -162.4 | 162.3 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | D284 R288 N289 W329 L352 | D284-A286 PolarHBondContact O-N 3.32Å; A286-R288 HydrophobicContact CB-CG 3.92Å; A286-R288 PolarHBondContact O-N 3.25Å; A286-N289 PolarHBondContact O-N 2.98Å; A286-W329 HydrophobicContact CB-CD2 4.11Å; A286-W329 HydrophobicContact CB-CG 4.12Å; A286-W329 HydrophobicContact CB-CZ2 4.27Å; A286-W329 VanDerWaalsContact CB-NE1 3.33Å; A286-L352 VanDerWaalsContact C-CD1 3.48Å |
| 287 | A | 98.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -62.2 | -28.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M243 D244 N289 C290 L352 E355 | M243-A287 HydrophobicContact CB-CB 4.5Å; M243-A287 WeakPolarHBondContact CB-O 3.28Å; M243-A287 PolarHBondContact N-O 3.28Å; D244-A287 HydrophobicContact CB-CB 3.84Å; D244-A287 PolarHBondContact N-O 3.23Å; A287-N289 PolarHBondContact O-N 2.83Å; A287-C290 PolarHBondContact O-N 3.3Å; A287-L352 VanDerWaalsContact CA-CD1 3.44Å; A287-L352 HydrophobicContact CB-CD1 3.86Å; A287-E355 HydrophobicContact CB-CB 4.03Å; A287-E355 PolarHBondContact N-OE2 2.82Å |
| 288 | R | 95.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 36.7 Ų | 36.7 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -63.4 | -24.8 | 173.4 | 64.3 | 174.8 | -177.5 | -78.3 | -6.6 | 114.2 | D284 A286 W329 | D284-R288 IonicContact OD1-CZ 3.37Å; D284-R288 IonicContact OD1-NH2 3.46Å; D284-R288 PolarHBondContact OD1-NH2 3.07Å; D284-R288 IonicContact OD2-NH2 2.71Å; D284-R288 PolarHBondContact OD2-NH2 3.31Å; A286-R288 HydrophobicContact CB-CG 3.92Å; A286-R288 PolarHBondContact O-N 3.25Å; R288-W329 VanDerWaalsContact NH1-CZ2 3.28Å |
| 289 | N | 95.2 | Very high | 93.5 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -101.9 | 22.8 | -179.5 | -66.2 | -12.4 | 0 | 0 | 0 | 111.7 | D284 A286 A287 C305 D306 | D284-N289 PolarHBondContact O-ND2 2.98Å; D284-N289 PolarHBondContact OD2-ND2 3.49Å; A286-N289 PolarHBondContact O-N 2.98Å; A287-N289 PolarHBondContact O-N 2.83Å; N289-C305 VanDerWaalsContact C-SG 3.51Å; N289-C305 PolarHBondContact O-N 3.33Å; N289-C305 PolarHBondContact O-SG 3.23Å; N289-C305 VanDerWaalsContact O-SG 3.41Å; N289-D306 HydrophobicContact CB-CB 4.49Å |
| 290 | C | 97.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.3 | 173.5 | -76.4 | 0 | 0 | 0 | 0 | 107.8 | S242 M243 A287 V302 K303 | S242-C290 CarbonylContact C-O 3.48Å; S242-C290 WeakPolarHBondContact CA-O 3.35Å; M243-C290 HydrophobicContact CB-CB 3.78Å; M243-C290 PolarHBondContact N-O 3.01Å; A287-C290 PolarHBondContact O-N 3.3Å; C290-V302 HydrophobicContact CB-CG1 3.52Å; C290-K303 CarbonylContact C-O 3.47Å; C290-K303 WeakPolarHBondContact CA-O 3.22Å |
| 291 | L | 97.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 18% | 0.183 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.6 | 177.4 | -56.2 | -178.3 | 0 | 0 | 0 | 110.8 | V219 V238 G241 V302 K303 C305 | V219-L291 HydrophobicContact CG2-CD1 3.89Å; V219-L291 HydrophobicContact CG2-CG 4.48Å; V238-L291 HydrophobicContact CB-CB 3.73Å; V238-L291 HydrophobicContact CB-CD1 3.89Å; V238-L291 HydrophobicContact CB-CG 4.47Å; V238-L291 HydrophobicContact CG1-CB 3.61Å; V238-L291 HydrophobicContact CG2-CB 4.22Å; V238-L291 HydrophobicContact CG2-CD1 4.05Å; G241-L291 CarbonylContact O-C 3.52Å; G241-L291 VanDerWaalsContact O-CA 3.27Å; G241-L291 WeakPolarHBondContact O-CA 3.43Å; L291-V302 CarbonylContact O-C 3.56Å; L291-V302 VanDerWaalsContact O-CA 3.28Å; L291-V302 WeakPolarHBondContact O-CA 3.48Å; L291-K303 PolarHBondContact N-O 3.43Å; L291-K303 PolarHBondContact O-N 3.25Å; L291-C305 HydrophobicContact CD1-CB 4.17Å; L291-C305 HydrophobicContact CG-CB 4.18Å |
| 292 | V | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.2 | -177.8 | -169.5 | 0 | 0 | 0 | 0 | 110.3 | V238 G240 G241 M243 Y246 I294 P299 V302 | V238-V292 VanDerWaalsContact CG1-C 3.44Å; V238-V292 WeakPolarHBondContact CG1-O 3.49Å; G240-V292 WeakPolarHBondContact CA-O 3.39Å; G240-V292 PolarHBondContact N-O 3.48Å; G241-V292 PolarHBondContact O-N 3.1Å; M243-V292 HydrophobicContact CB-CG2 4.11Å; M243-V292 HydrophobicContact CG-CG2 4.41Å; M243-V292 HydrophobicContact SD-CG2 3.39Å; M243-V292 WeakPolarHBondContact SD-CG2 3.49Å; Y246-V292 HydrophobicContact CD1-CG1 4.27Å; Y246-V292 HydrophobicContact CD1-CG2 4.07Å; Y246-V292 HydrophobicContact CE1-CG1 4.22Å; Y246-V292 HydrophobicContact CG-CB 4.44Å; Y246-V292 HydrophobicContact CG-CG1 4.47Å; Y246-V292 HydrophobicContact CG-CG2 3.9Å; V292-I294 HydrophobicContact CG1-CD1 3.77Å; V292-I294 HydrophobicContact CG1-CG1 4.37Å; V292-I294 PolarHBondContact O-N 3.15Å; V292-P299 HydrophobicContact CG1-CB 3.63Å; V292-V302 HydrophobicContact CG2-CG2 4.35Å |
| 293 | D | 96.5 | Very high | 95.1 | Very high | 47 Ų | 47 | 41.5 Ų | 41.5 | 25% | 0.251 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 114.2 | 173.8 | -168.9 | 10 | 0 | 0 | 0 | 109.9 | V238 Q300 A301 | V238-D293 HydrophobicContact CG1-CB 4.23Å; D293-Q300 PolarHBondContact O-N 2.89Å; D293-A301 HydrophobicContact CB-CB 4.37Å; D293-A301 PolarHBondContact N-O 3.28Å |
| 294 | I | 95.8 | Very high | 95.3 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 120.7 | -177.9 | -55.7 | -72.9 | 0 | 0 | 0 | 109 | S239 G240 Y246 V292 Q298 P299 | S239-I294 PolarHBondContact OG-O 3.43Å; G240-I294 VanDerWaalsContact CA-CG1 3.43Å; Y246-I294 HydrophobicContact CE2-CD1 3.65Å; V292-I294 HydrophobicContact CG1-CD1 3.77Å; V292-I294 HydrophobicContact CG1-CG1 4.37Å; V292-I294 PolarHBondContact O-N 3.15Å; I294-Q298 WeakPolarHBondContact CA-O 3.45Å; I294-P299 HydrophobicContact CD1-CB 3.94Å |
| 295 | V | 92.7 | Very high | 95.3 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.5 | 172.2 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | N297 Q298 Q300 | V295-N297 VanDerWaalsContact C-N 3.25Å; V295-N297 PolarHBondContact O-N 3.18Å; V295-Q298 PolarHBondContact N-O 2.82Å; V295-Q298 PolarHBondContact O-N 3.07Å; V295-Q298 VanDerWaalsContact O-O 3.1Å; V295-Q300 HydrophobicContact CB-CG 3.59Å; V295-Q300 HydrophobicContact CG2-CB 4.41Å; V295-Q300 HydrophobicContact CG2-CG 3.72Å |
| 296 | E | 91.9 | Very high | 94.7 | Very high | 179 Ų | 179 | 44 Ų | 44 | 84% | 0.836 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 42.2 | -179.5 | -64 | 177 | -177.7 | 0 | 0 | 113.2 | Q298 | E296-Q298 PolarHBondContact O-N 3.08Š|
| 297 | N | 88.7 | Confident | 93.9 | Very high | 143 Ų | 143 | 44 Ų | 44 | 77% | 0.765 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 16.9 | -177 | -55.1 | -52 | 0 | 0 | 0 | 115.2 | V295 | V295-N297 VanDerWaalsContact C-N 3.25Å; V295-N297 PolarHBondContact O-N 3.18Å |
| 298 | Q | 93 | Very high | 92.7 | Very high | 112 Ų | 112 | 45.6 Ų | 45.6 | 52% | 0.523 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.6 | 177.5 | -65.6 | -63.6 | -52.6 | 0 | 0 | 111 | I294 V295 E296 Q300 | I294-Q298 WeakPolarHBondContact CA-O 3.45Å; V295-Q298 PolarHBondContact N-O 2.82Å; V295-Q298 PolarHBondContact O-N 3.07Å; V295-Q298 VanDerWaalsContact O-O 3.1Å; E296-Q298 PolarHBondContact O-N 3.08Å; Q298-Q300 PolarHBondContact O-N 2.82Å |
| 299 | P | 95.7 | Very high | 91.6 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 108.4 | 177.3 | 31.6 | -34 | 0 | 0 | 0 | 110.1 | Y246 L252 V256 R259 L260 V292 I294 | Y246-P299 HydrophobicContact CE1-CB 3.97Å; Y246-P299 HydrophobicContact CE1-CG 4.09Å; Y246-P299 WeakPolarHBondContact OH-CD 3.29Å; Y246-P299 WeakPolarHBondContact OH-CG 3.47Å; L252-P299 HydrophobicContact CD2-CG 4.12Å; V256-P299 HydrophobicContact CG1-CG 3.95Å; R259-P299 PolarHBondContact NH2-O 3.41Å; L260-P299 HydrophobicContact CD1-CB 4Å; L260-P299 HydrophobicContact CD1-CG 4.36Å; L260-P299 HydrophobicContact CD2-CB 4.18Å; V292-P299 HydrophobicContact CG1-CB 3.63Å; I294-P299 HydrophobicContact CD1-CB 3.94Å |
| 300 | Q | 94 | Very high | 90.7 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 39% | 0.388 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -45.5 | -177.1 | -65.6 | -55.7 | -38 | 0 | 0 | 112.1 | D293 V295 Q298 | D293-Q300 PolarHBondContact O-N 2.89Å; V295-Q300 HydrophobicContact CB-CG 3.59Å; V295-Q300 HydrophobicContact CG2-CB 4.41Å; V295-Q300 HydrophobicContact CG2-CG 3.72Å; Q298-Q300 PolarHBondContact O-N 2.82Å |
| 301 | A | 94.6 | Very high | 89.7 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 169.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D293 | D293-A301 HydrophobicContact CB-CB 4.37Å; D293-A301 PolarHBondContact N-O 3.28Å |
| 302 | V | 96.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139.7 | 167.1 | 162.3 | 0 | 0 | 0 | 0 | 108.8 | M243 L260 A264 C290 L291 V292 F356 | M243-V302 HydrophobicContact CG-CG2 4.48Å; M243-V302 HydrophobicContact SD-CG2 3.8Å; L260-V302 HydrophobicContact CB-CG2 3.83Å; L260-V302 HydrophobicContact CD1-CG2 4.49Å; L260-V302 HydrophobicContact CD2-CG2 4.17Å; L260-V302 HydrophobicContact CG-CG2 4.37Å; A264-V302 HydrophobicContact CB-CG1 4.09Å; C290-V302 HydrophobicContact CB-CG1 3.52Å; L291-V302 CarbonylContact O-C 3.56Å; L291-V302 VanDerWaalsContact O-CA 3.28Å; L291-V302 WeakPolarHBondContact O-CA 3.48Å; V292-V302 HydrophobicContact CG2-CG2 4.35Å; V302-F356 HydrophobicContact CG1-CZ 4.47Å; V302-F356 HydrophobicContact CG2-CE1 4.42Å; V302-F356 HydrophobicContact CG2-CZ 4.24Å |
| 303 | K | 97.3 | Very high | 87.2 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.3 | 175.6 | -56.1 | -161.4 | 176.7 | -172.2 | 0 | 110.4 | P216 G217 V219 E236 V238 C290 L291 | P216-K303 WeakPolarHBondContact O-CE 3.41Å; P216-K303 WeakPolarHBondContact O-CG 3.49Å; G217-K303 WeakPolarHBondContact O-CA 3.43Å; V219-K303 HydrophobicContact CG2-CB 3.76Å; E236-K303 WeakPolarHBondContact OE1-CD 3.4Å; E236-K303 IonicContact OE1-NZ 2.81Å; E236-K303 PolarHBondContact OE1-NZ 3.2Å; E236-K303 IonicContact OE2-NZ 3.39Å; E236-K303 PolarHBondContact OE2-NZ 3.04Å; V238-K303 HydrophobicContact CG2-CD 4.08Å; C290-K303 CarbonylContact C-O 3.47Å; C290-K303 WeakPolarHBondContact CA-O 3.22Å; L291-K303 PolarHBondContact N-O 3.43Å; L291-K303 PolarHBondContact O-N 3.25Å |
| 304 | V | 96.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 134.7 | 174.9 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | G217 V219 A264 I268 H282 L285 F307 | G217-V304 PolarHBondContact O-N 2.79Å; V219-V304 PolarHBondContact N-O 3.33Å; A264-V304 HydrophobicContact CB-CG2 4.25Å; I268-V304 HydrophobicContact CD1-CB 4.15Å; I268-V304 HydrophobicContact CD1-CG1 3.78Å; I268-V304 HydrophobicContact CD1-CG2 3.71Å; I268-V304 HydrophobicContact CG1-CG2 4.36Å; H282-V304 WeakPolarHBondContact NE2-CG1 3.46Å; L285-V304 HydrophobicContact CD2-CG1 4.01Å; V304-F307 HydrophobicContact CG1-CZ 4.44Å |
| 305 | C | 91.7 | Very high | 84.8 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | trans | -133.5 | -179.6 | -179 | 74 | 0 | 0 | 0 | 0 | 111.7 | V219 H282 N289 L291 | V219-C305 HydrophobicContact CB-CB 4.13Å; V219-C305 HydrophobicContact CG2-CB 3.58Å; H282-C305 PolarHBondContact NE2-O 3.02Å; H282-C305 VanDerWaalsContact NE2-O 3.1Å; N289-C305 VanDerWaalsContact C-SG 3.51Å; N289-C305 PolarHBondContact O-N 3.33Å; N289-C305 PolarHBondContact O-SG 3.23Å; N289-C305 VanDerWaalsContact O-SG 3.41Å; L291-C305 HydrophobicContact CD1-CB 4.17Å; L291-C305 HydrophobicContact CG-CB 4.18Å | ||
| 306 | D | 84.2 | Confident | 84.1 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 33% | 0.326 | 29% | 0.288 | S | S | . | . | trans | 61.4 | 78.7 | 177.9 | -161.8 | -0.6 | 0 | 0 | 0 | 114.5 | K189 H282 N289 G308 | K189-D306 IonicContact NZ-OD1 2.64Å; H282-D306 PolarHBondContact CE1-O 2.9Å; N289-D306 HydrophobicContact CB-CB 4.49Å; D306-G308 VanDerWaalsContact C-N 3.26Å; D306-G308 PolarHBondContact O-N 2.85Å; D306-G308 PolarHBondContact OD1-N 2.66Å | ||
| 307 | F | 80.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | trans | -91.5 | 20.1 | 177.1 | -69.5 | -101.2 | 0 | 0 | 0 | 111.9 | E206 I209 M210 L213 V218 I271 I280 H282 V304 L309 S310 | E206-F307 HydrophobicContact CG-CB 4.05Å; I209-F307 HydrophobicContact CG2-CD1 4.34Å; M210-F307 HydrophobicContact CE-CD2 3.87Å; M210-F307 HydrophobicContact CE-CE2 4.19Å; M210-F307 HydrophobicContact CG-CB 3.91Å; M210-F307 HydrophobicContact CG-CD2 3.63Å; M210-F307 HydrophobicContact CG-CE2 4.4Å; M210-F307 HydrophobicContact CG-CG 3.88Å; M210-F307 HydrophobicContact SD-CB 4.32Å; M210-F307 HydrophobicContact SD-CD2 3.83Å; M210-F307 HydrophobicContact SD-CG 4.45Å; L213-F307 HydrophobicContact CD1-CD1 3.93Å; L213-F307 HydrophobicContact CD1-CE1 3.39Å; L213-F307 HydrophobicContact CD1-CE2 4.16Å; L213-F307 HydrophobicContact CD1-CZ 3.53Å; V218-F307 HydrophobicContact CG1-CE2 3.74Å; V218-F307 HydrophobicContact CG1-CZ 3.62Å; I271-F307 HydrophobicContact CD1-CE1 3.91Å; I271-F307 HydrophobicContact CG2-CE1 4.31Å; I280-F307 HydrophobicContact CG2-CD1 4.31Å; I280-F307 HydrophobicContact CG2-CE1 4.46Å; H282-F307 AromaticContact CD2-CE1 3.82Å; V304-F307 HydrophobicContact CG1-CZ 4.44Å; F307-L309 PolarHBondContact O-N 2.81Å; F307-S310 VanDerWaalsContact CA-OG 3.27Å; F307-S310 WeakPolarHBondContact CA-OG 3.37Å; F307-S310 WeakPolarHBondContact CB-OG 3.44Å; F307-S310 WeakPolarHBondContact CD1-OG 3.49Å; F307-S310 WeakPolarHBondContact O-CB 3.48Å; F307-S310 PolarHBondContact O-N 2.99Å; F307-S310 PolarHBondContact O-OG 2.65Å | ||
| 308 | G | 73.1 | Confident | 83.1 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 34% | 0.34 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -32.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D306 | D306-G308 VanDerWaalsContact C-N 3.26Å; D306-G308 PolarHBondContact O-N 2.85Å; D306-G308 PolarHBondContact OD1-N 2.66Å |
| 309 | L | 72.5 | Confident | 82.3 | Confident | 43 Ų | 43 | 47 Ų | 47 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -6.6 | 174.1 | -52.1 | -157.8 | 0 | 0 | 0 | 113.5 | R283 D284 F307 R311 | R283-L309 HydrophobicContact CB-CB 4.19Å; R283-L309 WeakPolarHBondContact CD-O 3.39Å; R283-L309 PolarHBondContact NH1-O 3.07Å; D284-L309 HydrophobicContact CB-CD1 4.03Å; D284-L309 HydrophobicContact CB-CG 4.33Å; F307-L309 PolarHBondContact O-N 2.81Å; L309-R311 PolarHBondContact O-NH1 2.92Å |
| 310 | S | 77.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | trans | -69.4 | 155.3 | -169.7 | -60.4 | 0 | 0 | 0 | 0 | 113.7 | L281 H282 F307 | L281-S310 WeakPolarHBondContact O-CA 3.21Å; L281-S310 VanDerWaalsContact O-CB 3.32Å; L281-S310 WeakPolarHBondContact O-CB 3.24Å; L281-S310 PolarHBondContact O-OG 3Å; H282-S310 PolarHBondContact O-OG 3.21Å; F307-S310 VanDerWaalsContact CA-OG 3.27Å; F307-S310 WeakPolarHBondContact CA-OG 3.37Å; F307-S310 WeakPolarHBondContact CB-OG 3.44Å; F307-S310 WeakPolarHBondContact CD1-OG 3.49Å; F307-S310 WeakPolarHBondContact O-CB 3.48Å; F307-S310 PolarHBondContact O-N 2.99Å; F307-S310 PolarHBondContact O-OG 2.65Å | ||
| 311 | R | 76.5 | Confident | 79.2 | Confident | 27 Ų | 27 | 56 Ų | 56 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -136.1 | 120.7 | 179.7 | -58.4 | -66.1 | 179.1 | -102.7 | 8.5 | 108.8 | R205 I280 L281 R283 L309 T314 Y317 | R205-R311 VanDerWaalsContact NH1-NH1 3.14Å; I280-R311 WeakPolarHBondContact CA-O 3.5Å; L281-R311 PolarHBondContact N-O 2.73Å; L281-R311 PolarHBondContact O-N 3.41Å; R283-R311 VanDerWaalsContact NH1-CZ 3.34Å; L309-R311 PolarHBondContact O-NH1 2.92Å; R311-T314 HydrophobicContact CB-CG2 4.4Å; R311-Y317 HydrophobicContact CG-CD2 3.86Å; R311-Y317 HydrophobicContact CG-CE2 4.02Å; R311-Y317 HydrophobicContact CG-CG 4.19Å |
| 312 | D | 74 | Confident | 77.6 | Confident | 37 Ų | 37 | 59.9 Ų | 59.9 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -85.5 | 157.1 | 174.9 | 62.4 | -31 | 0 | 0 | 0 | 112 | I209 K212 I280 T314 | I209-D312 HydrophobicContact CD1-CB 4.46Å; I209-D312 HydrophobicContact CG1-CB 4.1Å; K212-D312 IonicContact NZ-OD2 2.71Å; K212-D312 PolarHBondContact NZ-OD2 3.27Å; I280-D312 HydrophobicContact CG1-CB 3.92Å; D312-T314 PolarHBondContact O-N 3.33Å; D312-T314 PolarHBondContact O-OG1 2.79Å |
| 313 | R | 68.7 | Low | 76.4 | Confident | 161 Ų | 161 | 62.5 Ų | 62.5 | 61% | 0.608 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 51.2 | 31.7 | 178.9 | -58.3 | -179.9 | 175 | 176 | 1 | 113.6 | L278 E279 | L278-R313 PolarHBondContact O-N 2.82Å; E279-R313 PolarHBondContact O-N 3.29Å |
| 314 | T | 67.1 | Low | 75.5 | Confident | 34 Ų | 34 | 69 Ų | 69 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | trans | -127.4 | 97.6 | -171.7 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | E279 L281 R311 D312 V316 Y317 | E279-T314 PolarHBondContact O-N 3.37Å; L281-T314 WeakPolarHBondContact CG-O 3.49Å; R311-T314 HydrophobicContact CB-CG2 4.4Å; D312-T314 PolarHBondContact O-N 3.33Å; D312-T314 PolarHBondContact O-OG1 2.79Å; T314-V316 VanDerWaalsContact C-N 3.33Å; T314-V316 VanDerWaalsContact CG2-O 3.3Å; T314-V316 WeakPolarHBondContact CG2-O 3.48Å; T314-Y317 HydrophobicContact CG2-CD2 4.3Å | ||
| 315 | K | 73.8 | Confident | 75.1 | Confident | 130 Ų | 130 | 70.1 Ų | 70.1 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -65 | -39.4 | 173.3 | -66.8 | -175.5 | 173.3 | 175.5 | 0 | 112.6 | E279 | E279-K315 VanDerWaalsContact CD-CE 3.45Å; E279-K315 WeakPolarHBondContact OE1-CE 3.47Å; E279-K315 IonicContact OE1-NZ 3.19Å; E279-K315 WeakPolarHBondContact OE2-CE 3.37Å; E279-K315 WeakPolarHBondContact OE2-CG 3.41Å |
| 316 | V | 77.7 | Confident | 75.2 | Confident | 88 Ų | 88 | 69.8 Ų | 69.8 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | trans | -135.4 | 120.8 | -175.1 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | T314 L339 T341 | T314-V316 VanDerWaalsContact C-N 3.33Å; T314-V316 VanDerWaalsContact CG2-O 3.3Å; T314-V316 WeakPolarHBondContact CG2-O 3.48Å; V316-L339 HydrophobicContact CG1-CD1 3.35Å; V316-T341 HydrophobicContact CG2-CG2 4.38Å | ||
| 317 | Y | 79.5 | Confident | 75.7 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 18% | 0.18 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.6 | 174.3 | -177 | -99 | 0 | 0 | 0 | 109.6 | R283 R311 T314 L319 W340 | R283-Y317 VanDerWaalsContact NH2-CE1 3.33Å; R311-Y317 HydrophobicContact CG-CD2 3.86Å; R311-Y317 HydrophobicContact CG-CE2 4.02Å; R311-Y317 HydrophobicContact CG-CG 4.19Å; T314-Y317 HydrophobicContact CG2-CD2 4.3Å; Y317-L319 HydrophobicContact CE1-CB 3.95Å; Y317-L319 HydrophobicContact CE1-CD1 3.83Å; Y317-L319 WeakPolarHBondContact OH-CD1 3.35Å; Y317-W340 HydrophobicContact CD1-CD2 4.3Å; Y317-W340 AromaticContact CD1-CE3 3.66Å; Y317-W340 HydrophobicContact CD1-CE3 3.66Å; Y317-W340 HydrophobicContact CD1-CZ3 4.19Å; Y317-W340 HydrophobicContact CE1-CE3 4.22Å; Y317-W340 HydrophobicContact CE1-CZ3 4.33Å; Y317-W340 PolarHBondContact N-O 2.98Å; Y317-W340 PolarHBondContact O-N 3.44Å |
| 318 | R | 80.1 | Confident | 76.5 | Confident | 151 Ų | 151 | 70.5 Ų | 70.5 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.3 | 166.4 | -74.7 | -175.4 | -164.9 | -105.3 | -1.5 | 109 | E337 R338 L339 | R318-E337 IonicContact CZ-OE2 3.73Å; R318-E337 IonicContact NH1-OE2 3.83Å; R318-E337 PolarHBondContact NH1-OE2 3.33Å; R318-E337 IonicContact NH2-OE2 2.72Å; R318-E337 PolarHBondContact NH2-OE2 2.98Å; R318-R338 WeakPolarHBondContact CA-O 3.1Å; R318-L339 HydrophobicContact CG-CD1 3.6Å |
| 319 | L | 76.1 | Confident | 77.7 | Confident | 23 Ų | 23 | 70.3 Ų | 70.3 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | trans | -82.9 | 122.2 | -177.7 | -178.4 | 74 | 0 | 0 | 0 | 111.3 | Y317 K321 Q323 R338 W340 | Y317-L319 HydrophobicContact CE1-CB 3.95Å; Y317-L319 HydrophobicContact CE1-CD1 3.83Å; Y317-L319 WeakPolarHBondContact OH-CD1 3.35Å; L319-K321 WeakPolarHBondContact CD2-O 3.34Å; L319-K321 WeakPolarHBondContact CG-O 3.27Å; L319-Q323 HydrophobicContact CD1-CB 4.03Å; L319-Q323 HydrophobicContact CD2-CB 3.43Å; L319-Q323 VanDerWaalsContact CD2-CB 3.43Å; L319-Q323 HydrophobicContact CG-CB 4.34Å; L319-R338 HydrophobicContact CB-CB 4.26Å; L319-R338 PolarHBondContact N-O 3.28Å; L319-W340 HydrophobicContact CB-CE3 4.45Å; L319-W340 HydrophobicContact CB-CH2 3.94Å; L319-W340 HydrophobicContact CB-CZ3 3.43Å; L319-W340 VanDerWaalsContact CB-CZ3 3.43Å; L319-W340 HydrophobicContact CD2-CH2 3.94Å; L319-W340 HydrophobicContact CD2-CZ3 4.3Å; L319-W340 HydrophobicContact CG-CZ3 4.44Å | ||
| 320 | A | 62 | Low | 78.9 | Confident | 104 Ų | 104 | 68.4 Ų | 68.4 | 86% | 0.86 | 35% | 0.345 | S | S | * | . | trans | -87.7 | -19.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 321 | K | 63 | Low | 79.9 | Confident | 171 Ų | 171 | 68.3 Ų | 68.3 | 74% | 0.743 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -111.7 | 166.9 | -175.5 | -67.7 | -172.1 | 179.3 | -177.7 | 0 | 112.1 | L319 Q323 R338 | L319-K321 WeakPolarHBondContact CD2-O 3.34Å; L319-K321 WeakPolarHBondContact CG-O 3.27Å; K321-Q323 PolarHBondContact O-N 3.08Å; K321-R338 PolarHBondContact O-NH1 3.08Å |
| 322 | A | 61.6 | Low | 80.9 | Confident | 104 Ų | 104 | 67.2 Ų | 67.2 | 86% | 0.86 | 34% | 0.341 | S | S | * | . | trans | -69.5 | 111.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 323 | Q | 71.4 | Confident | 82 | Confident | 54 Ų | 54 | 66.4 Ų | 66.4 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | trans | -126.4 | 143.3 | 168.4 | -167.4 | 177.7 | 11.2 | 0 | 0 | 107.2 | L319 K321 I325 | L319-Q323 HydrophobicContact CD1-CB 4.03Å; L319-Q323 HydrophobicContact CD2-CB 3.43Å; L319-Q323 VanDerWaalsContact CD2-CB 3.43Å; L319-Q323 HydrophobicContact CG-CB 4.34Å; K321-Q323 PolarHBondContact O-N 3.08Å; Q323-I325 PolarHBondContact O-N 3.1Å | ||
| 324 | H | 78.5 | Confident | 83.3 | Confident | 162 Ų | 162 | 58.8 Ų | 58.8 | 75% | 0.75 | 31% | 0.307 | S | S | * | . | trans | -61.7 | 131.9 | 172.8 | -175.7 | -95.3 | 0 | 0 | 0 | 109.9 | ||||
| 325 | I | 86.9 | Confident | 84.7 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.128 | 30% | 0.303 | C | S | . | . | trans | -104.8 | 129 | 178.6 | -63.9 | 177.1 | 0 | 0 | 0 | 107.5 | Q323 V327 S330 V334 L335 R338 W340 | Q323-I325 PolarHBondContact O-N 3.1Å; I325-V327 PolarHBondContact O-N 3.16Å; I325-S330 WeakPolarHBondContact CG2-OG 3.25Å; I325-V334 HydrophobicContact CG2-CG1 3.95Å; I325-L335 HydrophobicContact CG2-CD2 4.32Å; I325-R338 HydrophobicContact CD1-CG 4.03Å; I325-W340 HydrophobicContact CD1-CH2 4.34Å; I325-W340 HydrophobicContact CG1-CH2 4.28Å; I325-W340 HydrophobicContact CG1-CZ2 4.23Å | ||
| 326 | P | 93.3 | Very high | 85.7 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | trans | -72.8 | 79.7 | 175 | 31.1 | -35 | 0 | 0 | 0 | 109.9 | D284 R328 W329 S330 | D284-P326 VanDerWaalsContact OD1-CB 3.32Å; D284-P326 WeakPolarHBondContact OD1-CB 3.43Å; D284-P326 WeakPolarHBondContact OD1-CG 3.35Å; P326-R328 PolarHBondContact O-N 3.01Å; P326-W329 HydrophobicContact CB-CE3 4.18Å; P326-W329 PolarHBondContact O-N 3.19Å; P326-S330 WeakPolarHBondContact O-CB 3.21Å; P326-S330 PolarHBondContact O-N 3.31Å; P326-S330 VanDerWaalsContact O-N 3.1Å; P326-S330 PolarHBondContact O-OG 2.81Å | ||
| 327 | V | 96.1 | Very high | 86.3 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -48.3 | -51.6 | -166.9 | 175.4 | 0 | 0 | 0 | 0 | 112.8 | I325 W329 S330 L335 L370 L375 | I325-V327 PolarHBondContact O-N 3.16Å; V327-W329 PolarHBondContact O-N 2.94Å; V327-W329 VanDerWaalsContact O-N 3.16Å; V327-S330 PolarHBondContact O-N 3.18Å; V327-S330 VanDerWaalsContact O-N 3.08Å; V327-L335 HydrophobicContact CG1-CD2 4.2Å; V327-L370 HydrophobicContact CB-CD2 4.13Å; V327-L370 HydrophobicContact CG1-CD2 3.63Å; V327-L370 HydrophobicContact CG1-CG 4.26Å; V327-L375 HydrophobicContact CG1-CB 4.29Å; V327-L375 HydrophobicContact CG1-CD2 3.86Å; V327-L375 VanDerWaalsContact O-CD2 3.25Å; V327-L375 WeakPolarHBondContact O-CD2 3.44Å |
| 328 | R | 97.7 | Very high | 86.9 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -62.5 | -23.9 | -175.9 | -63.9 | 179.3 | -179.3 | -63.3 | -2.5 | 114.4 | P326 P363 Y364 L370 | P326-R328 PolarHBondContact O-N 3.01Å; R328-P363 HydrophobicContact CB-CB 4.25Å; R328-P363 HydrophobicContact CB-CG 4.49Å; R328-P363 WeakPolarHBondContact CD-O 3.39Å; R328-P363 PolarHBondContact NH1-O 2.81Å; R328-Y364 VanDerWaalsContact NH1-C 3.33Å; R328-Y364 PolarHBondContact NH1-O 3.39Å; R328-Y364 WeakPolarHBondContact O-CE2 3.35Å; R328-L370 HydrophobicContact CG-CD2 3.38Å; R328-L370 VanDerWaalsContact CZ-CD2 3.4Å |
| 329 | W | 98 | Very high | 87.5 | Confident | 30 Ų | 30 | 54 Ų | 54 | 11% | 0.114 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -102.9 | -6.5 | 180 | -64.4 | -96 | 0 | 0 | 0 | 112.6 | A286 R288 P326 V327 S348 V351 E355 P363 | A286-W329 HydrophobicContact CB-CD2 4.11Å; A286-W329 HydrophobicContact CB-CG 4.12Å; A286-W329 HydrophobicContact CB-CZ2 4.27Å; A286-W329 VanDerWaalsContact CB-NE1 3.33Å; R288-W329 VanDerWaalsContact NH1-CZ2 3.28Å; P326-W329 HydrophobicContact CB-CE3 4.18Å; P326-W329 PolarHBondContact O-N 3.19Å; V327-W329 PolarHBondContact O-N 2.94Å; V327-W329 VanDerWaalsContact O-N 3.16Å; W329-S348 WeakPolarHBondContact O-CA 3.37Å; W329-S348 WeakPolarHBondContact O-CB 3.49Å; W329-S348 PolarHBondContact O-OG 3.28Å; W329-V351 VanDerWaalsContact CD1-CG1 3.43Å; W329-V351 HydrophobicContact CG-CG1 4.05Å; W329-E355 WeakPolarHBondContact CZ2-OE1 3.22Å; W329-E355 VanDerWaalsContact NE1-CD 3.29Å; W329-E355 PolarHBondContact NE1-OE2 2.95Å; W329-P363 HydrophobicContact CZ2-CG 4.17Å |
| 330 | S | 97.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | trans | -85.1 | 140.1 | -170.9 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | I325 P326 V327 W347 | I325-S330 WeakPolarHBondContact CG2-OG 3.25Å; P326-S330 WeakPolarHBondContact O-CB 3.21Å; P326-S330 PolarHBondContact O-N 3.31Å; P326-S330 VanDerWaalsContact O-N 3.1Å; P326-S330 PolarHBondContact O-OG 2.81Å; V327-S330 PolarHBondContact O-N 3.18Å; V327-S330 VanDerWaalsContact O-N 3.08Å; S330-W347 PolarHBondContact O-NE1 2.8Å | ||
| 331 | A | 98.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -70.5 | 157.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E333 V334 L335 W347 | A331-E333 VanDerWaalsContact C-N 3.28Å; A331-E333 VanDerWaalsContact CB-CD 3.47Å; A331-E333 VanDerWaalsContact CB-OE1 3.25Å; A331-E333 WeakPolarHBondContact CB-OE1 3.38Å; A331-E333 WeakPolarHBondContact CB-OE2 3.26Å; A331-E333 PolarHBondContact O-N 3.13Å; A331-V334 HydrophobicContact CB-CG2 4.26Å; A331-V334 WeakPolarHBondContact O-CA 3.44Å; A331-V334 WeakPolarHBondContact O-CB 3.4Å; A331-V334 PolarHBondContact O-N 3.43Å; A331-L335 WeakPolarHBondContact O-CG 3.46Å; A331-L335 PolarHBondContact O-N 2.98Å; A331-W347 HydrophobicContact CB-CB 3.68Å; A331-W347 HydrophobicContact CB-CD2 4.11Å; A331-W347 HydrophobicContact CB-CG 3.66Å | ||
| 332 | P | 98.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -50.2 | -43 | 178.3 | -28.3 | 32.7 | 0 | 0 | 0 | 114.5 | V334 L335 H336 W347 L376 L379 F405 | P332-V334 VanDerWaalsContact C-N 3.34Å; P332-V334 PolarHBondContact O-N 3.37Å; P332-L335 PolarHBondContact O-N 3.46Å; P332-H336 VanDerWaalsContact O-CB 3.28Å; P332-H336 WeakPolarHBondContact O-CB 3.31Å; P332-H336 PolarHBondContact O-N 2.87Å; P332-W347 HydrophobicContact CG-CE3 4.34Å; P332-W347 HydrophobicContact CG-CH2 3.71Å; P332-W347 HydrophobicContact CG-CZ2 4.22Å; P332-W347 HydrophobicContact CG-CZ3 3.77Å; P332-L376 HydrophobicContact CB-CD1 3.93Å; P332-L379 HydrophobicContact CG-CD1 4.11Å; P332-F405 HydrophobicContact CB-CD2 4.17Å; P332-F405 HydrophobicContact CB-CE2 3.71Å; P332-F405 HydrophobicContact CB-CZ 3.95Å; P332-F405 HydrophobicContact CG-CD2 3.86Å; P332-F405 HydrophobicContact CG-CE2 3.83Å |
| 333 | E | 96.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 41 Ų | 41 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70 | -28.2 | 179.3 | 69.5 | -79.2 | -173.6 | 0 | 0 | 113.2 | A331 E337 R338 L339 S344 M407 R410 | A331-E333 VanDerWaalsContact C-N 3.28Å; A331-E333 VanDerWaalsContact CB-CD 3.47Å; A331-E333 VanDerWaalsContact CB-OE1 3.25Å; A331-E333 WeakPolarHBondContact CB-OE1 3.38Å; A331-E333 WeakPolarHBondContact CB-OE2 3.26Å; A331-E333 PolarHBondContact O-N 3.13Å; E333-E337 WeakPolarHBondContact O-CA 3.33Å; E333-E337 PolarHBondContact O-N 3.44Å; E333-R338 PolarHBondContact O-N 3.15Å; E333-L339 HydrophobicContact CB-CB 4.47Å; E333-L339 HydrophobicContact CB-CD2 4.43Å; E333-L339 HydrophobicContact CG-CB 4.46Å; E333-L339 HydrophobicContact CG-CD2 4.48Å; E333-L339 PolarHBondContact O-N 2.89Å; E333-S344 WeakPolarHBondContact OE1-CB 3.47Å; E333-M407 HydrophobicContact CG-SD 4.19Å; E333-R410 IonicContact OE1-CZ 3.52Å; E333-R410 IonicContact OE1-NH1 3.66Å; E333-R410 PolarHBondContact OE1-NH1 2.8Å; E333-R410 IonicContact OE1-NH2 2.81Å; E333-R410 IonicContact OE2-CZ 3.36Å; E333-R410 IonicContact OE2-NH1 2.81Å; E333-R410 PolarHBondContact OE2-NH1 3.36Å; E333-R410 IonicContact OE2-NH2 2.66Å; E333-R410 PolarHBondContact OE2-NH2 3.08Å |
| 334 | V | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71 | -43.9 | 172.2 | 175.2 | 0 | 0 | 0 | 0 | 109.8 | I325 A331 P332 R338 L339 W340 | I325-V334 HydrophobicContact CG2-CG1 3.95Å; A331-V334 HydrophobicContact CB-CG2 4.26Å; A331-V334 WeakPolarHBondContact O-CA 3.44Å; A331-V334 WeakPolarHBondContact O-CB 3.4Å; A331-V334 PolarHBondContact O-N 3.43Å; P332-V334 VanDerWaalsContact C-N 3.34Å; P332-V334 PolarHBondContact O-N 3.37Å; V334-R338 WeakPolarHBondContact O-CA 3.41Å; V334-R338 PolarHBondContact O-N 3.39Å; V334-L339 WeakPolarHBondContact CG2-O 3.49Å; V334-W340 HydrophobicContact CG1-CD2 4.24Å; V334-W340 HydrophobicContact CG1-CH2 4.23Å; V334-W340 HydrophobicContact CG1-CZ2 3.56Å; V334-W340 HydrophobicContact CG2-CD2 4.28Å; V334-W340 HydrophobicContact CG2-CG 4.08Å |
| 335 | L | 95.6 | Very high | 95 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 13% | 0.126 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.2 | -37.3 | 178.6 | -62.1 | 178.1 | 0 | 0 | 0 | 112.2 | I325 V327 A331 P332 L375 L376 L379 | I325-L335 HydrophobicContact CG2-CD2 4.32Å; V327-L335 HydrophobicContact CG1-CD2 4.2Å; A331-L335 WeakPolarHBondContact O-CG 3.46Å; A331-L335 PolarHBondContact O-N 2.98Å; P332-L335 PolarHBondContact O-N 3.46Å; L335-L375 HydrophobicContact CD1-CB 4.22Å; L335-L375 HydrophobicContact CD1-CD2 3.96Å; L335-L375 HydrophobicContact CD1-CG 3.98Å; L335-L376 HydrophobicContact CB-CB 4.26Å; L335-L376 HydrophobicContact CD1-CB 4.36Å; L335-L379 HydrophobicContact CD1-CD1 4.41Å |
| 336 | H | 94.8 | Very high | 95.6 | Very high | 116 Ų | 116 | 29.6 Ų | 29.6 | 54% | 0.537 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -82.7 | -53.2 | -177.3 | -171.5 | 44.2 | 0 | 0 | 0 | 113 | P332 L376 | P332-H336 VanDerWaalsContact O-CB 3.28Å; P332-H336 WeakPolarHBondContact O-CB 3.31Å; P332-H336 PolarHBondContact O-N 2.87Å; H336-L376 HydrophobicContact CB-CD1 4.42Å; H336-L376 HydrophobicContact CB-CD2 3.69Å |
| 337 | E | 91.9 | Very high | 95.8 | Very high | 88 Ų | 88 | 29.2 Ų | 29.2 | 41% | 0.411 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -114.1 | -1.1 | -168.4 | -63.1 | -173.4 | -154.1 | 0 | 0 | 113.5 | R318 E333 L339 | R318-E337 IonicContact CZ-OE2 3.73Å; R318-E337 IonicContact NH1-OE2 3.83Å; R318-E337 PolarHBondContact NH1-OE2 3.33Å; R318-E337 IonicContact NH2-OE2 2.72Å; R318-E337 PolarHBondContact NH2-OE2 2.98Å; E333-E337 WeakPolarHBondContact O-CA 3.33Å; E333-E337 PolarHBondContact O-N 3.44Å; E337-L339 HydrophobicContact CB-CB 4.06Å; E337-L339 PolarHBondContact O-N 3.31Å |
| 338 | R | 91.6 | Very high | 96 | Very high | 108 Ų | 108 | 27.9 Ų | 27.9 | 41% | 0.408 | 13% | 0.125 | S | C | . | . | trans | 52.7 | 44.5 | -169.9 | -53.8 | -173.8 | 174.2 | -166.1 | -0.7 | 111 | R318 L319 K321 I325 E333 V334 W340 | R318-R338 WeakPolarHBondContact CA-O 3.1Å; L319-R338 HydrophobicContact CB-CB 4.26Å; L319-R338 PolarHBondContact N-O 3.28Å; K321-R338 PolarHBondContact O-NH1 3.08Å; I325-R338 HydrophobicContact CD1-CG 4.03Å; E333-R338 PolarHBondContact O-N 3.15Å; V334-R338 WeakPolarHBondContact O-CA 3.41Å; V334-R338 PolarHBondContact O-N 3.39Å; R338-W340 VanDerWaalsContact C-CZ3 3.43Å; R338-W340 HydrophobicContact CB-CH2 4.13Å; R338-W340 HydrophobicContact CB-CZ3 3.79Å; R338-W340 WeakPolarHBondContact O-CZ3 3.44Å | ||
| 339 | L | 92.7 | Very high | 96 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 7% | 0.068 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 113.5 | -178.1 | -178.1 | 68.7 | 0 | 0 | 0 | 110 | V316 R318 E333 V334 E337 T341 M407 | V316-L339 HydrophobicContact CG1-CD1 3.35Å; R318-L339 HydrophobicContact CG-CD1 3.6Å; E333-L339 HydrophobicContact CB-CB 4.47Å; E333-L339 HydrophobicContact CB-CD2 4.43Å; E333-L339 HydrophobicContact CG-CB 4.46Å; E333-L339 HydrophobicContact CG-CD2 4.48Å; E333-L339 PolarHBondContact O-N 2.89Å; V334-L339 WeakPolarHBondContact CG2-O 3.49Å; E337-L339 HydrophobicContact CB-CB 4.06Å; E337-L339 PolarHBondContact O-N 3.31Å; L339-T341 HydrophobicContact CG-CG2 4.36Å; L339-M407 HydrophobicContact CD2-SD 4.48Å |
| 340 | W | 92.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.027 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.8 | 172.3 | -67.7 | -97.2 | 0 | 0 | 0 | 110.8 | L281 R283 Y317 L319 I325 V334 R338 S344 | L281-W340 HydrophobicContact CD1-CB 4Å; L281-W340 WeakPolarHBondContact CD1-O 3.49Å; R283-W340 HydrophobicContact CB-CG 4.4Å; R283-W340 HydrophobicContact CG-CB 4.11Å; R283-W340 HydrophobicContact CG-CG 3.84Å; Y317-W340 HydrophobicContact CD1-CD2 4.3Å; Y317-W340 AromaticContact CD1-CE3 3.66Å; Y317-W340 HydrophobicContact CD1-CE3 3.66Å; Y317-W340 HydrophobicContact CD1-CZ3 4.19Å; Y317-W340 HydrophobicContact CE1-CE3 4.22Å; Y317-W340 HydrophobicContact CE1-CZ3 4.33Å; Y317-W340 PolarHBondContact N-O 2.98Å; Y317-W340 PolarHBondContact O-N 3.44Å; L319-W340 HydrophobicContact CB-CE3 4.45Å; L319-W340 HydrophobicContact CB-CH2 3.94Å; L319-W340 HydrophobicContact CB-CZ3 3.43Å; L319-W340 VanDerWaalsContact CB-CZ3 3.43Å; L319-W340 HydrophobicContact CD2-CH2 3.94Å; L319-W340 HydrophobicContact CD2-CZ3 4.3Å; L319-W340 HydrophobicContact CG-CZ3 4.44Å; I325-W340 HydrophobicContact CD1-CH2 4.34Å; I325-W340 HydrophobicContact CG1-CH2 4.28Å; I325-W340 HydrophobicContact CG1-CZ2 4.23Å; V334-W340 HydrophobicContact CG1-CD2 4.24Å; V334-W340 HydrophobicContact CG1-CH2 4.23Å; V334-W340 HydrophobicContact CG1-CZ2 3.56Å; V334-W340 HydrophobicContact CG2-CD2 4.28Å; V334-W340 HydrophobicContact CG2-CG 4.08Å; R338-W340 VanDerWaalsContact C-CZ3 3.43Å; R338-W340 HydrophobicContact CB-CH2 4.13Å; R338-W340 HydrophobicContact CB-CZ3 3.79Å; R338-W340 WeakPolarHBondContact O-CZ3 3.44Å; W340-S344 WeakPolarHBondContact CA-OG 3.49Å |
| 341 | T | 93.7 | Very high | 96.1 | Very high | 13 Ų | 13 | 24.3 Ų | 24.3 | 8% | 0.08 | 11% | 0.111 | C | C | . | . | trans | -143.1 | 176.3 | 173.9 | 68.9 | 0 | 0 | 0 | 0 | 109 | L281 V316 L339 K343 S344 D345 M407 | L281-T341 VanDerWaalsContact CD2-C 3.4Å; V316-T341 HydrophobicContact CG2-CG2 4.38Å; L339-T341 HydrophobicContact CG-CG2 4.36Å; T341-K343 PolarHBondContact O-N 3.37Å; T341-K343 WeakPolarHBondContact OG1-CB 3.4Å; T341-K343 PolarHBondContact OG1-N 2.92Å; T341-K343 VanDerWaalsContact OG1-N 3.11Å; T341-S344 PolarHBondContact N-OG 3.47Å; T341-S344 PolarHBondContact O-N 3.45Å; T341-S344 VanDerWaalsContact O-N 3.09Å; T341-S344 PolarHBondContact O-OG 3.36Å; T341-S344 PolarHBondContact OG1-N 3.16Å; T341-D345 PolarHBondContact O-N 3.35Å; T341-M407 HydrophobicContact CG2-SD 4.46Å | ||
| 342 | Q | 94.1 | Very high | 96.2 | Very high | 59 Ų | 59 | 24.3 Ų | 24.3 | 28% | 0.276 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -58.8 | -30 | 170.7 | -66.5 | -176.3 | -17.3 | 0 | 0 | 111.9 | H272 L281 S344 D345 V346 | H272-Q342 HydrophobicContact CB-CG 4.37Å; H272-Q342 PolarHBondContact CE1-O 3.5Å; H272-Q342 PolarHBondContact O-NE2 2.83Å; L281-Q342 HydrophobicContact CD2-CB 4.37Å; L281-Q342 HydrophobicContact CD2-CG 3.65Å; L281-Q342 VanDerWaalsContact CD2-N 3.31Å; Q342-S344 VanDerWaalsContact C-N 3.33Å; Q342-S344 PolarHBondContact O-N 3.23Å; Q342-D345 WeakPolarHBondContact O-CB 3.29Å; Q342-D345 PolarHBondContact O-N 3.05Å; Q342-V346 WeakPolarHBondContact O-CG2 3.36Å; Q342-V346 PolarHBondContact O-N 3.34Å |
| 343 | K | 96.8 | Very high | 96.2 | Very high | 49 Ų | 49 | 24.1 Ų | 24.1 | 21% | 0.213 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -73.1 | -24.1 | 178.3 | -57.1 | -55.8 | -162.6 | 80.7 | 0 | 113 | T341 W347 M407 D408 R410 | T341-K343 PolarHBondContact O-N 3.37Å; T341-K343 WeakPolarHBondContact OG1-CB 3.4Å; T341-K343 PolarHBondContact OG1-N 2.92Å; T341-K343 VanDerWaalsContact OG1-N 3.11Å; K343-W347 PolarHBondContact O-N 3.33Å; K343-M407 HydrophobicContact CB-CB 3.92Å; K343-M407 WeakPolarHBondContact CG-O 3.42Å; K343-M407 PolarHBondContact NZ-O 3.42Å; K343-D408 PolarHBondContact NZ-O 3.43Å; K343-R410 HydrophobicContact CD-CB 4.38Å; K343-R410 WeakPolarHBondContact CE-O 3.49Å; K343-R410 PolarHBondContact NZ-O 2.89Å; K343-R410 WeakPolarHBondContact O-CD 3.25Å; K343-R410 PolarHBondContact O-NH1 3.42Å |
| 344 | S | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -73.6 | -36.3 | 170.3 | 63.2 | 0 | 0 | 0 | 0 | 111.4 | E333 W340 T341 Q342 V346 W347 S348 | E333-S344 WeakPolarHBondContact OE1-CB 3.47Å; W340-S344 WeakPolarHBondContact CA-OG 3.49Å; T341-S344 PolarHBondContact N-OG 3.47Å; T341-S344 PolarHBondContact O-N 3.45Å; T341-S344 VanDerWaalsContact O-N 3.09Å; T341-S344 PolarHBondContact O-OG 3.36Å; T341-S344 PolarHBondContact OG1-N 3.16Å; Q342-S344 VanDerWaalsContact C-N 3.33Å; Q342-S344 PolarHBondContact O-N 3.23Å; S344-V346 VanDerWaalsContact C-N 3.33Å; S344-W347 WeakPolarHBondContact O-CB 3.4Å; S344-W347 PolarHBondContact O-N 2.99Å; S344-S348 PolarHBondContact O-N 3.2Å; S344-S348 PolarHBondContact O-OG 3.45Å |
| 345 | D | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | 171.8 | -79.4 | -8.1 | 0 | 0 | 0 | 111.4 | H272 L281 H282 R283 L285 T341 Q342 W347 S348 F349 | H272-D345 IonicContact CD2-OD2 3.54Å; H272-D345 VanDerWaalsContact CE1-CB 3.47Å; H272-D345 WeakPolarHBondContact CE1-CB 3.5Å; H272-D345 IonicContact CE1-OD2 2.97Å; H272-D345 WeakPolarHBondContact NE2-CB 3.36Å; H272-D345 IonicContact NE2-OD2 3.67Å; H272-D345 PolarHBondContact NE2-OD2 2.92Å; L281-D345 WeakPolarHBondContact CA-OD2 3.49Å; H282-D345 PolarHBondContact N-OD2 3.24Å; R283-D345 PolarHBondContact N-OD1 2.81Å; L285-D345 HydrophobicContact CD1-CB 3.97Å; L285-D345 WeakPolarHBondContact CD1-O 3.39Å; T341-D345 PolarHBondContact O-N 3.35Å; Q342-D345 WeakPolarHBondContact O-CB 3.29Å; Q342-D345 PolarHBondContact O-N 3.05Å; D345-W347 VanDerWaalsContact C-N 3.31Å; D345-W347 PolarHBondContact O-N 2.97Å; D345-S348 PolarHBondContact O-N 3.42Å; D345-F349 WeakPolarHBondContact O-CB 3.28Å; D345-F349 PolarHBondContact O-N 2.86Å |
| 346 | V | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 173.5 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | Q342 S344 F349 G350 M402 R410 P411 M413 | Q342-V346 WeakPolarHBondContact O-CG2 3.36Å; Q342-V346 PolarHBondContact O-N 3.34Å; S344-V346 VanDerWaalsContact C-N 3.33Å; V346-F349 PolarHBondContact O-N 3.17Å; V346-G350 PolarHBondContact O-N 3.15Å; V346-M402 HydrophobicContact CG1-CB 3.87Å; V346-M402 HydrophobicContact CG1-CG 3.62Å; V346-M402 HydrophobicContact CG1-SD 4.09Å; V346-R410 HydrophobicContact CG1-CB 4.2Å; V346-P411 HydrophobicContact CG1-CG 4.32Å; V346-P411 WeakPolarHBondContact CG2-O 3.41Å; V346-M413 HydrophobicContact CB-SD 4.39Å; V346-M413 HydrophobicContact CG2-CG 3.72Å; V346-M413 HydrophobicContact CG2-SD 3.93Å |
| 347 | W | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 0% | 0.004 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 174.6 | 178.1 | -74.6 | 0 | 0 | 0 | 111.6 | S330 A331 P332 K343 S344 D345 F349 G350 V351 L379 F403 | S330-W347 PolarHBondContact O-NE1 2.8Å; A331-W347 HydrophobicContact CB-CB 3.68Å; A331-W347 HydrophobicContact CB-CD2 4.11Å; A331-W347 HydrophobicContact CB-CG 3.66Å; P332-W347 HydrophobicContact CG-CE3 4.34Å; P332-W347 HydrophobicContact CG-CH2 3.71Å; P332-W347 HydrophobicContact CG-CZ2 4.22Å; P332-W347 HydrophobicContact CG-CZ3 3.77Å; K343-W347 PolarHBondContact O-N 3.33Å; S344-W347 WeakPolarHBondContact O-CB 3.4Å; S344-W347 PolarHBondContact O-N 2.99Å; D345-W347 VanDerWaalsContact C-N 3.31Å; D345-W347 PolarHBondContact O-N 2.97Å; W347-F349 PolarHBondContact O-N 3.28Å; W347-G350 WeakPolarHBondContact O-CA 3.34Å; W347-G350 PolarHBondContact O-N 3.17Å; W347-V351 PolarHBondContact O-N 2.74Å; W347-V351 VanDerWaalsContact O-N 3.11Å; W347-L379 HydrophobicContact CH2-CD1 3.93Å; W347-L379 HydrophobicContact CH2-CD2 3.92Å; W347-L379 HydrophobicContact CH2-CG 4.41Å; W347-L379 HydrophobicContact CZ2-CD1 3.54Å; W347-L379 HydrophobicContact CZ2-CD2 3.8Å; W347-L379 HydrophobicContact CZ2-CG 4.28Å; W347-F403 AromaticContact CD2-CD1 3.94Å; W347-F403 HydrophobicContact CD2-CD1 3.94Å; W347-F403 AromaticContact CE2-CD1 3.98Å; W347-F403 HydrophobicContact CE3-CD1 4.12Å; W347-F403 HydrophobicContact CG-CD1 4.44Å; W347-F403 HydrophobicContact CH2-CD1 4.4Å; W347-F403 HydrophobicContact CZ2-CD1 4.2Å; W347-F403 HydrophobicContact CZ3-CB 4.32Å; W347-F403 HydrophobicContact CZ3-CD1 4.37Å; W347-F403 WeakPolarHBondContact CZ3-O 3.43Å |
| 348 | S | 98.7 | Very high | 97 | Very high | 6 Ų | 6 | 14.2 Ų | 14.2 | 4% | 0.042 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.6 | -35.1 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | W329 S344 D345 G350 V351 L352 | W329-S348 WeakPolarHBondContact O-CA 3.37Å; W329-S348 WeakPolarHBondContact O-CB 3.49Å; W329-S348 PolarHBondContact O-OG 3.28Å; S344-S348 PolarHBondContact O-N 3.2Å; S344-S348 PolarHBondContact O-OG 3.45Å; D345-S348 PolarHBondContact O-N 3.42Å; S348-G350 VanDerWaalsContact C-N 3.34Å; S348-V351 PolarHBondContact O-N 3.11Å; S348-L352 PolarHBondContact O-N 3.42Å |
| 349 | F | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.3 | -34 | 172.2 | -167.8 | -87.4 | 0 | 0 | 0 | 112.4 | A264 A265 I268 L285 D345 V346 W347 V351 L352 L353 M402 M413 V416 L420 | A264-F349 HydrophobicContact CB-CE2 3.96Å; A264-F349 HydrophobicContact CB-CZ 4.45Å; A265-F349 HydrophobicContact CB-CE1 3.95Å; A265-F349 HydrophobicContact CB-CE2 4.06Å; A265-F349 HydrophobicContact CB-CZ 3.45Å; A265-F349 VanDerWaalsContact CB-CZ 3.45Å; I268-F349 HydrophobicContact CG1-CD2 4.07Å; I268-F349 HydrophobicContact CG1-CE2 4.43Å; L285-F349 HydrophobicContact CD1-CB 4.35Å; D345-F349 WeakPolarHBondContact O-CB 3.28Å; D345-F349 PolarHBondContact O-N 2.86Å; V346-F349 PolarHBondContact O-N 3.17Å; W347-F349 PolarHBondContact O-N 3.28Å; F349-V351 VanDerWaalsContact C-N 3.34Å; F349-L352 HydrophobicContact CD2-CD2 3.9Å; F349-L352 HydrophobicContact CE2-CD2 3.92Å; F349-L352 WeakPolarHBondContact O-CB 3.43Å; F349-L352 PolarHBondContact O-N 2.82Å; F349-L353 WeakPolarHBondContact O-CB 3.48Å; F349-L353 PolarHBondContact O-N 3.24Å; F349-M402 HydrophobicContact CB-SD 4.46Å; F349-M402 HydrophobicContact CD1-CE 4.01Å; F349-M402 HydrophobicContact CD1-SD 3.79Å; F349-M413 HydrophobicContact CB-CE 4.12Å; F349-M413 HydrophobicContact CB-SD 3.87Å; F349-M413 HydrophobicContact CD1-CE 3.59Å; F349-M413 HydrophobicContact CD1-SD 4.09Å; F349-M413 HydrophobicContact CD2-CE 3.64Å; F349-M413 HydrophobicContact CD2-SD 4.49Å; F349-M413 HydrophobicContact CE1-CE 3.92Å; F349-M413 HydrophobicContact CE2-CE 3.96Å; F349-M413 HydrophobicContact CG-CE 3.46Å; F349-M413 VanDerWaalsContact CG-CE 3.46Å; F349-M413 HydrophobicContact CG-SD 3.87Å; F349-M413 HydrophobicContact CZ-CE 4.11Å; F349-V416 HydrophobicContact CD1-CG1 4.07Å; F349-V416 HydrophobicContact CE1-CG1 3.98Å; F349-L420 HydrophobicContact CE1-CD1 3.98Å |
| 350 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V346 W347 S348 L353 W354 F403 | V346-G350 PolarHBondContact O-N 3.15Å; W347-G350 WeakPolarHBondContact O-CA 3.34Å; W347-G350 PolarHBondContact O-N 3.17Å; S348-G350 VanDerWaalsContact C-N 3.34Å; G350-L353 PolarHBondContact O-N 3.45Å; G350-W354 PolarHBondContact O-N 3.44Å; G350-F403 WeakPolarHBondContact O-CZ 3.4Å |
| 351 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 173.9 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | W329 W347 S348 F349 W354 E355 P363 L385 F403 | W329-V351 VanDerWaalsContact CD1-CG1 3.43Å; W329-V351 HydrophobicContact CG-CG1 4.05Å; W347-V351 PolarHBondContact O-N 2.74Å; W347-V351 VanDerWaalsContact O-N 3.11Å; S348-V351 PolarHBondContact O-N 3.11Å; F349-V351 VanDerWaalsContact C-N 3.34Å; V351-W354 WeakPolarHBondContact O-CB 3.21Å; V351-W354 PolarHBondContact O-N 3.23Å; V351-E355 WeakPolarHBondContact O-CG 3.11Å; V351-E355 PolarHBondContact O-N 3.01Å; V351-P363 HydrophobicContact CG1-CB 3.78Å; V351-P363 HydrophobicContact CG1-CG 3.54Å; V351-L385 HydrophobicContact CB-CD1 4.36Å; V351-L385 HydrophobicContact CG1-CD1 4.05Å; V351-L385 HydrophobicContact CG2-CD1 4.09Å; V351-F403 HydrophobicContact CG2-CE1 3.75Å; V351-F403 HydrophobicContact CG2-CZ 4.08Å |
| 352 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.7 | -50 | 173.6 | 176.1 | 57.4 | 0 | 0 | 0 | 111.5 | A286 A287 S348 F349 W354 E355 F356 | A286-L352 VanDerWaalsContact C-CD1 3.48Å; A287-L352 VanDerWaalsContact CA-CD1 3.44Å; A287-L352 HydrophobicContact CB-CD1 3.86Å; S348-L352 PolarHBondContact O-N 3.42Å; F349-L352 HydrophobicContact CD2-CD2 3.9Å; F349-L352 HydrophobicContact CE2-CD2 3.92Å; F349-L352 WeakPolarHBondContact O-CB 3.43Å; F349-L352 PolarHBondContact O-N 2.82Å; L352-W354 PolarHBondContact O-N 2.91Å; L352-E355 WeakPolarHBondContact O-CA 3.27Å; L352-E355 WeakPolarHBondContact O-CB 3.4Å; L352-E355 PolarHBondContact O-N 2.91Å; L352-F356 HydrophobicContact CD1-CD2 3.87Å; L352-F356 HydrophobicContact CD1-CE2 3.55Å; L352-F356 HydrophobicContact CD2-CE2 4.41Å; L352-F356 HydrophobicContact CG-CD2 4.09Å; L352-F356 HydrophobicContact CG-CE2 3.81Å; L352-F356 VanDerWaalsContact O-CD2 3.31Å; L352-F356 WeakPolarHBondContact O-CD2 3.43Å; L352-F356 PolarHBondContact O-N 3.37Å |
| 353 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.5 | -39 | 177.6 | -177 | 60.8 | 0 | 0 | 0 | 111.1 | A261 F349 G350 F356 F357 M391 M399 M402 L420 | A261-L353 HydrophobicContact CB-CD1 3.74Å; F349-L353 WeakPolarHBondContact O-CB 3.48Å; F349-L353 PolarHBondContact O-N 3.24Å; G350-L353 PolarHBondContact O-N 3.45Å; L353-F356 WeakPolarHBondContact O-CB 3.36Å; L353-F356 PolarHBondContact O-N 3.39Å; L353-F357 HydrophobicContact CD1-CD2 4.14Å; L353-F357 HydrophobicContact CD1-CE2 3.78Å; L353-F357 WeakPolarHBondContact O-CD2 3.35Å; L353-F357 PolarHBondContact O-N 2.89Å; L353-M391 HydrophobicContact CG-CE 4.26Å; L353-M399 HydrophobicContact CD2-CB 3.9Å; L353-M399 HydrophobicContact CD2-CG 4.22Å; L353-M402 HydrophobicContact CB-CE 4.43Å; L353-M402 HydrophobicContact CD2-CE 3.72Å; L353-L420 HydrophobicContact CD1-CD1 4.46Å; L353-L420 HydrophobicContact CD2-CD1 4.24Å; L353-L420 HydrophobicContact CD2-CD2 4.06Å |
| 354 | W | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 1% | 0.011 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 171.6 | -176.8 | 92.5 | 0 | 0 | 0 | 112.1 | G350 V351 L352 F356 F357 T358 S361 P363 L385 H386 P388 M399 | G350-W354 PolarHBondContact O-N 3.44Å; V351-W354 WeakPolarHBondContact O-CB 3.21Å; V351-W354 PolarHBondContact O-N 3.23Å; L352-W354 PolarHBondContact O-N 2.91Å; W354-F356 VanDerWaalsContact C-N 3.3Å; W354-F356 PolarHBondContact O-N 2.77Å; W354-F357 PolarHBondContact O-N 3.2Å; W354-F357 VanDerWaalsContact O-N 3.11Å; W354-T358 HydrophobicContact CD2-CG2 3.76Å; W354-T358 VanDerWaalsContact CE2-CG2 3.41Å; W354-T358 HydrophobicContact CE3-CG2 4.17Å; W354-T358 HydrophobicContact CG-CG2 4.33Å; W354-T358 HydrophobicContact CH2-CG2 3.99Å; W354-T358 HydrophobicContact CZ2-CG2 3.56Å; W354-T358 HydrophobicContact CZ3-CG2 4.26Å; W354-T358 VanDerWaalsContact CZ3-OG1 3.27Å; W354-T358 WeakPolarHBondContact CZ3-OG1 3.25Å; W354-T358 WeakPolarHBondContact O-CG2 3.12Å; W354-T358 PolarHBondContact O-N 3.47Å; W354-T358 PolarHBondContact O-OG1 2.87Å; W354-T358 VanDerWaalsContact O-OG1 3.06Å; W354-S361 WeakPolarHBondContact CZ3-O 3.35Å; W354-P363 HydrophobicContact CE3-CB 4.31Å; W354-P363 HydrophobicContact CE3-CG 4.16Å; W354-P363 HydrophobicContact CZ3-CB 4.06Å; W354-P363 HydrophobicContact CZ3-CG 3.92Å; W354-L385 HydrophobicContact CB-CD1 4.05Å; W354-L385 HydrophobicContact CD2-CB 4.49Å; W354-L385 HydrophobicContact CD2-CD1 3.94Å; W354-L385 HydrophobicContact CD2-CD2 4.29Å; W354-L385 HydrophobicContact CD2-CG 4.46Å; W354-L385 HydrophobicContact CE3-CD1 4.3Å; W354-L385 HydrophobicContact CG-CB 4.15Å; W354-L385 HydrophobicContact CG-CD1 3.83Å; W354-L385 HydrophobicContact CG-CG 4.45Å; W354-L385 HydrophobicContact CZ2-CD2 4.17Å; W354-H386 AromaticContact CZ2-CE1 3.85Å; W354-H386 PolarHBondContact NE1-O 3.33Å; W354-P388 HydrophobicContact CG-CG 4.4Å; W354-M399 HydrophobicContact CB-SD 3.87Å |
| 355 | E | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.5 | -39.6 | 175.7 | -68.9 | -179.7 | 105.9 | 0 | 0 | 112.3 | A287 W329 V351 L352 F357 T358 D359 A360 P363 | A287-E355 HydrophobicContact CB-CB 4.03Å; A287-E355 PolarHBondContact N-OE2 2.82Å; W329-E355 WeakPolarHBondContact CZ2-OE1 3.22Å; W329-E355 VanDerWaalsContact NE1-CD 3.29Å; W329-E355 PolarHBondContact NE1-OE2 2.95Å; V351-E355 WeakPolarHBondContact O-CG 3.11Å; V351-E355 PolarHBondContact O-N 3.01Å; L352-E355 WeakPolarHBondContact O-CA 3.27Å; L352-E355 WeakPolarHBondContact O-CB 3.4Å; L352-E355 PolarHBondContact O-N 2.91Å; E355-F357 VanDerWaalsContact C-N 3.25Å; E355-F357 PolarHBondContact O-N 3.3Å; E355-T358 PolarHBondContact O-N 3.38Å; E355-D359 PolarHBondContact O-N 3.15Å; E355-A360 PolarHBondContact O-N 3.02Å; E355-P363 HydrophobicContact CG-CG 4.19Å |
| 356 | F | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.1 | -38.9 | 176.5 | -89.9 | -108.5 | 0 | 0 | 0 | 112.6 | M243 K257 L260 A261 V302 L352 L353 W354 | M243-F356 HydrophobicContact CE-CD1 3.53Å; M243-F356 HydrophobicContact CE-CE1 3.29Å; M243-F356 HydrophobicContact CE-CG 4.38Å; M243-F356 HydrophobicContact CE-CZ 4Å; M243-F356 HydrophobicContact CG-CE1 4.08Å; M243-F356 HydrophobicContact CG-CE2 4.12Å; M243-F356 HydrophobicContact CG-CZ 3.77Å; M243-F356 HydrophobicContact SD-CE1 4.07Å; M243-F356 HydrophobicContact SD-CZ 4.26Å; K257-F356 VanDerWaalsContact CD-O 3.29Å; K257-F356 WeakPolarHBondContact CD-O 3.49Å; K257-F356 WeakPolarHBondContact CE-O 3.42Å; K257-F356 WeakPolarHBondContact O-CD1 3.25Å; L260-F356 HydrophobicContact CB-CD1 4.42Å; L260-F356 HydrophobicContact CB-CE1 3.64Å; A261-F356 HydrophobicContact CB-CD1 3.95Å; A261-F356 HydrophobicContact CB-CE1 4.09Å; A261-F356 HydrophobicContact CB-CG 4.21Å; A261-F356 HydrophobicContact CB-CZ 4.46Å; V302-F356 HydrophobicContact CG1-CZ 4.47Å; V302-F356 HydrophobicContact CG2-CE1 4.42Å; V302-F356 HydrophobicContact CG2-CZ 4.24Å; L352-F356 HydrophobicContact CD1-CD2 3.87Å; L352-F356 HydrophobicContact CD1-CE2 3.55Å; L352-F356 HydrophobicContact CD2-CE2 4.41Å; L352-F356 HydrophobicContact CG-CD2 4.09Å; L352-F356 HydrophobicContact CG-CE2 3.81Å; L352-F356 VanDerWaalsContact O-CD2 3.31Å; L352-F356 WeakPolarHBondContact O-CD2 3.43Å; L352-F356 PolarHBondContact O-N 3.37Å; L353-F356 WeakPolarHBondContact O-CB 3.36Å; L353-F356 PolarHBondContact O-N 3.39Å; W354-F356 VanDerWaalsContact C-N 3.3Å; W354-F356 PolarHBondContact O-N 2.77Å |
| 357 | F | 98.5 | Very high | 97.4 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.035 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -94.5 | -9.5 | -175.8 | -75.4 | -84.1 | 0 | 0 | 0 | 114.4 | P254 K257 L258 L353 W354 E355 P388 E390 M391 P392 | P254-F357 HydrophobicContact CB-CE1 4.26Å; K257-F357 HydrophobicContact CB-CD1 4.5Å; K257-F357 HydrophobicContact CB-CE1 4.09Å; K257-F357 HydrophobicContact CB-CZ 4.18Å; K257-F357 HydrophobicContact CD-CD1 4.11Å; K257-F357 HydrophobicContact CD-CE1 4.39Å; L258-F357 HydrophobicContact CB-CZ 4.15Å; L353-F357 HydrophobicContact CD1-CD2 4.14Å; L353-F357 HydrophobicContact CD1-CE2 3.78Å; L353-F357 WeakPolarHBondContact O-CD2 3.35Å; L353-F357 PolarHBondContact O-N 2.89Å; W354-F357 PolarHBondContact O-N 3.2Å; W354-F357 VanDerWaalsContact O-N 3.11Å; E355-F357 VanDerWaalsContact C-N 3.25Å; E355-F357 PolarHBondContact O-N 3.3Å; F357-P388 HydrophobicContact CB-CB 3.85Å; F357-P388 HydrophobicContact CB-CG 3.89Å; F357-E390 HydrophobicContact CD1-CB 4.47Å; F357-M391 HydrophobicContact CB-CB 4.4Å; F357-M391 HydrophobicContact CB-CE 3.77Å; F357-M391 HydrophobicContact CD1-CB 4.03Å; F357-M391 HydrophobicContact CD1-CG 4.39Å; F357-M391 HydrophobicContact CD2-CB 4.46Å; F357-M391 HydrophobicContact CD2-CE 3.41Å; F357-M391 VanDerWaalsContact CD2-CE 3.41Å; F357-M391 HydrophobicContact CD2-CG 4.09Å; F357-M391 HydrophobicContact CE1-CB 4.43Å; F357-M391 HydrophobicContact CE1-CG 4.5Å; F357-M391 HydrophobicContact CE2-CE 4.2Å; F357-M391 HydrophobicContact CE2-CG 4.19Å; F357-M391 HydrophobicContact CG-CB 4.04Å; F357-M391 HydrophobicContact CG-CE 3.76Å; F357-M391 HydrophobicContact CG-CG 4.18Å; F357-M391 HydrophobicContact CZ-CG 4.39Å; F357-P392 VanDerWaalsContact CE1-CD 3.5Å |
| 358 | T | 97.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 17.1 | 173.4 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | W354 E355 A360 S361 P388 | W354-T358 HydrophobicContact CD2-CG2 3.76Å; W354-T358 VanDerWaalsContact CE2-CG2 3.41Å; W354-T358 HydrophobicContact CE3-CG2 4.17Å; W354-T358 HydrophobicContact CG-CG2 4.33Å; W354-T358 HydrophobicContact CH2-CG2 3.99Å; W354-T358 HydrophobicContact CZ2-CG2 3.56Å; W354-T358 HydrophobicContact CZ3-CG2 4.26Å; W354-T358 VanDerWaalsContact CZ3-OG1 3.27Å; W354-T358 WeakPolarHBondContact CZ3-OG1 3.25Å; W354-T358 WeakPolarHBondContact O-CG2 3.12Å; W354-T358 PolarHBondContact O-N 3.47Å; W354-T358 PolarHBondContact O-OG1 2.87Å; W354-T358 VanDerWaalsContact O-OG1 3.06Å; E355-T358 PolarHBondContact O-N 3.38Å; T358-A360 VanDerWaalsContact C-N 3.26Å; T358-A360 PolarHBondContact O-N 3.28Å; T358-S361 WeakPolarHBondContact O-CB 3.32Å; T358-S361 PolarHBondContact O-N 2.99Å; T358-S361 VanDerWaalsContact O-N 3.14Å; T358-S361 PolarHBondContact O-OG 3.19Å; T358-P388 HydrophobicContact CG2-CB 3.96Å; T358-P388 HydrophobicContact CG2-CG 3.48Å; T358-P388 VanDerWaalsContact CG2-CG 3.48Å |
| 359 | D | 97.3 | Very high | 96.4 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 17% | 0.171 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 43.2 | -177.5 | -62.7 | -16.1 | 0 | 0 | 0 | 112 | R248 K251 K257 E355 S361 | R248-D359 VanDerWaalsContact CG-O 3.26Å; R248-D359 WeakPolarHBondContact CG-O 3.48Å; K251-D359 IonicContact NZ-OD2 2.7Å; K251-D359 PolarHBondContact NZ-OD2 3.41Å; K257-D359 WeakPolarHBondContact CE-OD1 3.22Å; K257-D359 IonicContact NZ-OD1 2.68Å; K257-D359 PolarHBondContact NZ-OD1 3.47Å; E355-D359 PolarHBondContact O-N 3.15Å; D359-S361 PolarHBondContact O-N 3.28Å |
| 360 | A | 97.4 | Very high | 96 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 56.6 | 44.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D244 L247 R248 E355 T358 | D244-A360 HydrophobicContact CB-CB 3.9Å; L247-A360 HydrophobicContact CB-CB 4.12Å; L247-A360 HydrophobicContact CD1-CB 4.09Å; R248-A360 HydrophobicContact CG-CB 4.31Å; R248-A360 PolarHBondContact NH1-O 3.48Å; E355-A360 PolarHBondContact O-N 3.02Å; T358-A360 VanDerWaalsContact C-N 3.26Å; T358-A360 PolarHBondContact O-N 3.28Å |
| 361 | S | 96.8 | Very high | 95.8 | Very high | 57 Ų | 57 | 39.7 Ų | 39.7 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -63 | 159.5 | 165.9 | -68.5 | 0 | 0 | 0 | 0 | 110.6 | W354 T358 D359 P363 | W354-S361 WeakPolarHBondContact CZ3-O 3.35Å; T358-S361 WeakPolarHBondContact O-CB 3.32Å; T358-S361 PolarHBondContact O-N 2.99Å; T358-S361 VanDerWaalsContact O-N 3.14Å; T358-S361 PolarHBondContact O-OG 3.19Å; D359-S361 PolarHBondContact O-N 3.28Å; S361-P363 WeakPolarHBondContact O-CD 3.45Å |
| 362 | L | 95.6 | Very high | 95.5 | Very high | 90 Ų | 90 | 40.3 Ų | 40.3 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -76.8 | 120.4 | 179.4 | -172.2 | 66.5 | 0 | 0 | 0 | 110 | F365 | L362-F365 HydrophobicContact CB-CB 4.16Å; L362-F365 HydrophobicContact CD2-CB 4.38Å; L362-F365 HydrophobicContact CG-CB 4.48Å; L362-F365 WeakPolarHBondContact O-CB 3.27Å; L362-F365 PolarHBondContact O-N 2.57Å |
| 363 | P | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 137.2 | -179.4 | -18 | 29.7 | 0 | 0 | 0 | 111.6 | R328 W329 V351 W354 E355 S361 F365 L385 | R328-P363 HydrophobicContact CB-CB 4.25Å; R328-P363 HydrophobicContact CB-CG 4.49Å; R328-P363 WeakPolarHBondContact CD-O 3.39Å; R328-P363 PolarHBondContact NH1-O 2.81Å; W329-P363 HydrophobicContact CZ2-CG 4.17Å; V351-P363 HydrophobicContact CG1-CB 3.78Å; V351-P363 HydrophobicContact CG1-CG 3.54Å; W354-P363 HydrophobicContact CE3-CB 4.31Å; W354-P363 HydrophobicContact CE3-CG 4.16Å; W354-P363 HydrophobicContact CZ3-CB 4.06Å; W354-P363 HydrophobicContact CZ3-CG 3.92Å; E355-P363 HydrophobicContact CG-CG 4.19Å; S361-P363 WeakPolarHBondContact O-CD 3.45Å; P363-F365 VanDerWaalsContact C-N 3.28Å; P363-F365 PolarHBondContact O-N 2.73Å; P363-L385 HydrophobicContact CB-CD1 4.15Å; P363-L385 HydrophobicContact CB-CD2 4.05Å |
| 364 | Y | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 38.4 | -178.4 | -47.8 | -77.9 | 0 | 0 | 0 | 113.2 | R328 E366 L367 L375 Y378 L379 L385 | R328-Y364 VanDerWaalsContact NH1-C 3.33Å; R328-Y364 PolarHBondContact NH1-O 3.39Å; R328-Y364 WeakPolarHBondContact O-CE2 3.35Å; Y364-E366 VanDerWaalsContact CA-OE2 3.25Å; Y364-E366 WeakPolarHBondContact CA-OE2 3.39Å; Y364-E366 PolarHBondContact O-N 2.71Å; Y364-L367 HydrophobicContact CD1-CD1 4.48Å; Y364-L367 PolarHBondContact O-N 3.38Å; Y364-L375 HydrophobicContact CD1-CD1 3.75Å; Y364-L375 HydrophobicContact CD2-CD1 3.78Å; Y364-L375 HydrophobicContact CD2-CD2 4.13Å; Y364-L375 HydrophobicContact CE1-CD1 3.87Å; Y364-L375 HydrophobicContact CE2-CD1 3.92Å; Y364-L375 HydrophobicContact CE2-CD2 4.19Å; Y364-L375 HydrophobicContact CG-CD1 3.7Å; Y364-Y378 HydrophobicContact CD1-CD1 4.35Å; Y364-Y378 HydrophobicContact CD1-CE1 4.1Å; Y364-Y378 HydrophobicContact CE1-CD1 4.43Å; Y364-Y378 HydrophobicContact CE1-CE1 4.24Å; Y364-L379 HydrophobicContact CE1-CD2 4.17Å; Y364-L385 HydrophobicContact CD1-CD2 3.79Å; Y364-L385 HydrophobicContact CD1-CG 4.28Å; Y364-L385 HydrophobicContact CD2-CD2 4.11Å; Y364-L385 HydrophobicContact CE1-CD2 3.77Å; Y364-L385 HydrophobicContact CE1-CG 3.72Å; Y364-L385 HydrophobicContact CE2-CD1 4.17Å; Y364-L385 HydrophobicContact CE2-CD2 4.07Å; Y364-L385 HydrophobicContact CE2-CG 4Å; Y364-L385 HydrophobicContact CG-CD2 3.97Å |
| 365 | F | 93.1 | Very high | 95.2 | Very high | 132 Ų | 132 | 46.4 Ų | 46.4 | 58% | 0.579 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.4 | -178.9 | 71.4 | -88.2 | 0 | 0 | 0 | 112.9 | L362 P363 L367 | L362-F365 HydrophobicContact CB-CB 4.16Å; L362-F365 HydrophobicContact CD2-CB 4.38Å; L362-F365 HydrophobicContact CG-CB 4.48Å; L362-F365 WeakPolarHBondContact O-CB 3.27Å; L362-F365 PolarHBondContact O-N 2.57Å; P363-F365 VanDerWaalsContact C-N 3.28Å; P363-F365 PolarHBondContact O-N 2.73Å; F365-L367 VanDerWaalsContact C-N 3.27Å; F365-L367 PolarHBondContact O-N 3.36Å |
| 366 | E | 92.5 | Very high | 95.1 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -15.6 | 179 | 66.9 | -86.2 | -156.4 | 0 | 0 | 113.7 | Y364 | Y364-E366 VanDerWaalsContact CA-OE2 3.25Å; Y364-E366 WeakPolarHBondContact CA-OE2 3.39Å; Y364-E366 PolarHBondContact O-N 2.71Å |
| 367 | L | 93.2 | Very high | 95.1 | Very high | 31 Ų | 31 | 51 Ų | 51 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | trans | -87.7 | 119 | 178.1 | -61.2 | -176 | 0 | 0 | 0 | 110.5 | Y364 F365 L370 L375 Y378 | Y364-L367 HydrophobicContact CD1-CD1 4.48Å; Y364-L367 PolarHBondContact O-N 3.38Å; F365-L367 VanDerWaalsContact C-N 3.27Å; F365-L367 PolarHBondContact O-N 3.36Å; L367-L370 HydrophobicContact CB-CB 4.49Å; L367-L370 HydrophobicContact CB-CD1 3.77Å; L367-L370 HydrophobicContact CD1-CD1 3.78Å; L367-L370 HydrophobicContact CG-CD1 4.34Å; L367-L375 HydrophobicContact CD1-CD1 3.86Å; L367-Y378 HydrophobicContact CD1-CD1 3.95Å; L367-Y378 HydrophobicContact CD1-CD2 4.31Å; L367-Y378 HydrophobicContact CD1-CE1 4.49Å; L367-Y378 HydrophobicContact CD1-CG 3.84Å; L367-Y378 HydrophobicContact CD2-CD2 3.66Å; L367-Y378 HydrophobicContact CD2-CE2 3.86Å; L367-Y378 HydrophobicContact CD2-CG 4.05Å | ||
| 368 | D | 89.4 | Confident | 95 | Very high | 158 Ų | 158 | 53.2 Ų | 53.2 | 85% | 0.845 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -137.3 | 116.1 | 174.6 | -171 | 18.6 | 0 | 0 | 0 | 110.3 | ||
| 369 | P | 88.4 | Confident | 95.1 | Very high | 89 Ų | 89 | 52.3 Ų | 52.3 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | S | Bend | cis | -75.7 | 147.5 | -1.1 | 32.5 | -35.2 | 0 | 0 | 0 | 112.3 | S374 | P369-S374 PolarHBondContact O-OG 3.34Š|
| 370 | L | 90.4 | Very high | 95 | Very high | 38 Ų | 38 | 56 Ų | 56 | 20% | 0.199 | 30% | 0.3 | C | S | . | . | trans | -98.5 | 110.8 | 165.7 | -169.8 | 108.3 | 0 | 0 | 0 | 111.4 | V327 R328 L367 L375 | V327-L370 HydrophobicContact CB-CD2 4.13Å; V327-L370 HydrophobicContact CG1-CD2 3.63Å; V327-L370 HydrophobicContact CG1-CG 4.26Å; R328-L370 HydrophobicContact CG-CD2 3.38Å; R328-L370 VanDerWaalsContact CZ-CD2 3.4Å; L367-L370 HydrophobicContact CB-CB 4.49Å; L367-L370 HydrophobicContact CB-CD1 3.77Å; L367-L370 HydrophobicContact CD1-CD1 3.78Å; L367-L370 HydrophobicContact CG-CD1 4.34Å; L370-L375 HydrophobicContact CD1-CB 4.13Å; L370-L375 HydrophobicContact CD1-CD1 4.36Å; L370-L375 HydrophobicContact CD1-CD2 4.45Å | ||
| 371 | D | 93.7 | Very high | 95 | Very high | 74 Ų | 74 | 61.5 Ų | 61.5 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | trans | -132.4 | 178.9 | 164.7 | 65 | 21.2 | 0 | 0 | 0 | 110.7 | P373 S374 L375 | D371-P373 VanDerWaalsContact OD1-CD 3.28Å; D371-P373 WeakPolarHBondContact OD1-CD 3.3Å; D371-S374 PolarHBondContact N-OG 3.22Å; D371-S374 VanDerWaalsContact N-OG 3.08Å; D371-S374 PolarHBondContact O-OG 3.37Å; D371-S374 WeakPolarHBondContact OD1-CB 3.43Å; D371-S374 PolarHBondContact OD1-N 2.97Å; D371-S374 PolarHBondContact OD1-OG 2.9Å; D371-L375 WeakPolarHBondContact O-CB 3.5Å; D371-L375 PolarHBondContact O-N 3.42Å; D371-L375 VanDerWaalsContact O-N 3.13Å | ||
| 372 | G | 93.8 | Very high | 95 | Very high | 14 Ų | 14 | 61.3 Ų | 61.3 | 14% | 0.144 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.7 | -49.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L376 | G372-L376 VanDerWaalsContact O-CB 3.27Å; G372-L376 WeakPolarHBondContact O-CB 3.3Å; G372-L376 PolarHBondContact O-N 3.19Å |
| 373 | P | 95.3 | Very high | 95 | Very high | 94 Ų | 94 | 59.8 Ų | 59.8 | 61% | 0.61 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.8 | -45.9 | 175.2 | -28.4 | 36.1 | 0 | 0 | 0 | 115.1 | D371 L376 Q377 | D371-P373 VanDerWaalsContact OD1-CD 3.28Å; D371-P373 WeakPolarHBondContact OD1-CD 3.3Å; P373-L376 PolarHBondContact O-N 2.94Å; P373-Q377 PolarHBondContact O-N 3.2Å |
| 374 | S | 96 | Very high | 94.9 | Very high | 36 Ų | 36 | 62.3 Ų | 62.3 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | -176.8 | 74.7 | 0 | 0 | 0 | 0 | 111.5 | P369 D371 Q377 Y378 | P369-S374 PolarHBondContact O-OG 3.34Å; D371-S374 PolarHBondContact N-OG 3.22Å; D371-S374 VanDerWaalsContact N-OG 3.08Å; D371-S374 PolarHBondContact O-OG 3.37Å; D371-S374 WeakPolarHBondContact OD1-CB 3.43Å; D371-S374 PolarHBondContact OD1-N 2.97Å; D371-S374 PolarHBondContact OD1-OG 2.9Å; S374-Q377 PolarHBondContact O-N 3.48Å; S374-Y378 PolarHBondContact O-N 2.84Å |
| 375 | L | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 174.2 | -179.3 | 58.1 | 0 | 0 | 0 | 111.5 | V327 L335 Y364 L367 L370 D371 Q377 Y378 L379 | V327-L375 HydrophobicContact CG1-CB 4.29Å; V327-L375 HydrophobicContact CG1-CD2 3.86Å; V327-L375 VanDerWaalsContact O-CD2 3.25Å; V327-L375 WeakPolarHBondContact O-CD2 3.44Å; L335-L375 HydrophobicContact CD1-CB 4.22Å; L335-L375 HydrophobicContact CD1-CD2 3.96Å; L335-L375 HydrophobicContact CD1-CG 3.98Å; Y364-L375 HydrophobicContact CD1-CD1 3.75Å; Y364-L375 HydrophobicContact CD2-CD1 3.78Å; Y364-L375 HydrophobicContact CD2-CD2 4.13Å; Y364-L375 HydrophobicContact CE1-CD1 3.87Å; Y364-L375 HydrophobicContact CE2-CD1 3.92Å; Y364-L375 HydrophobicContact CE2-CD2 4.19Å; Y364-L375 HydrophobicContact CG-CD1 3.7Å; L367-L375 HydrophobicContact CD1-CD1 3.86Å; L370-L375 HydrophobicContact CD1-CB 4.13Å; L370-L375 HydrophobicContact CD1-CD1 4.36Å; L370-L375 HydrophobicContact CD1-CD2 4.45Å; D371-L375 WeakPolarHBondContact O-CB 3.5Å; D371-L375 PolarHBondContact O-N 3.42Å; D371-L375 VanDerWaalsContact O-N 3.13Å; L375-Q377 VanDerWaalsContact C-N 3.3Å; L375-Q377 PolarHBondContact O-N 2.96Å; L375-Y378 HydrophobicContact CD1-CD1 4.47Å; L375-Y378 PolarHBondContact O-N 3.07Å; L375-L379 HydrophobicContact CD1-CD1 4.21Å; L375-L379 HydrophobicContact CD1-CD2 4.41Å; L375-L379 HydrophobicContact CD1-CG 4.09Å; L375-L379 HydrophobicContact CG-CD1 4.03Å; L375-L379 HydrophobicContact CG-CG 4.36Å; L375-L379 WeakPolarHBondContact O-CG 3.46Å; L375-L379 PolarHBondContact O-N 3.34Å |
| 376 | L | 97.4 | Very high | 95 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 176.9 | 178 | 62.3 | 0 | 0 | 0 | 112 | P332 L335 H336 G372 P373 L379 K380 F405 | P332-L376 HydrophobicContact CB-CD1 3.93Å; L335-L376 HydrophobicContact CB-CB 4.26Å; L335-L376 HydrophobicContact CD1-CB 4.36Å; H336-L376 HydrophobicContact CB-CD1 4.42Å; H336-L376 HydrophobicContact CB-CD2 3.69Å; G372-L376 VanDerWaalsContact O-CB 3.27Å; G372-L376 WeakPolarHBondContact O-CB 3.3Å; G372-L376 PolarHBondContact O-N 3.19Å; P373-L376 PolarHBondContact O-N 2.94Å; L376-L379 PolarHBondContact O-N 3.2Å; L376-K380 HydrophobicContact CG-CD 4.42Å; L376-K380 WeakPolarHBondContact O-CG 3.47Å; L376-K380 PolarHBondContact O-N 3.41Å; L376-F405 HydrophobicContact CD1-CZ 4.44Å |
| 377 | Q | 97.3 | Very high | 95.2 | Very high | 93 Ų | 93 | 60 Ų | 60 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 176.8 | -179.1 | 56.2 | 32.7 | 0 | 0 | 111.5 | P373 S374 L375 L379 K380 E381 | P373-Q377 PolarHBondContact O-N 3.2Å; S374-Q377 PolarHBondContact O-N 3.48Å; L375-Q377 VanDerWaalsContact C-N 3.3Å; L375-Q377 PolarHBondContact O-N 2.96Å; Q377-L379 VanDerWaalsContact C-N 3.27Å; Q377-L379 PolarHBondContact O-N 3.29Å; Q377-K380 WeakPolarHBondContact O-CB 3.38Å; Q377-K380 PolarHBondContact O-N 3.2Å; Q377-K380 VanDerWaalsContact O-N 3.07Å; Q377-E381 PolarHBondContact NE2-OE1 2.87Å; Q377-E381 PolarHBondContact O-N 2.97Å |
| 378 | Y | 97.7 | Very high | 95.4 | Very high | 53 Ų | 53 | 59 Ų | 59 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55.5 | -42.1 | 176 | -176.7 | -102.1 | 0 | 0 | 0 | 112.4 | Y364 L367 S374 L375 E381 N383 | Y364-Y378 HydrophobicContact CD1-CD1 4.35Å; Y364-Y378 HydrophobicContact CD1-CE1 4.1Å; Y364-Y378 HydrophobicContact CE1-CD1 4.43Å; Y364-Y378 HydrophobicContact CE1-CE1 4.24Å; L367-Y378 HydrophobicContact CD1-CD1 3.95Å; L367-Y378 HydrophobicContact CD1-CD2 4.31Å; L367-Y378 HydrophobicContact CD1-CE1 4.49Å; L367-Y378 HydrophobicContact CD1-CG 3.84Å; L367-Y378 HydrophobicContact CD2-CD2 3.66Å; L367-Y378 HydrophobicContact CD2-CE2 3.86Å; L367-Y378 HydrophobicContact CD2-CG 4.05Å; S374-Y378 PolarHBondContact O-N 2.84Å; L375-Y378 HydrophobicContact CD1-CD1 4.47Å; L375-Y378 PolarHBondContact O-N 3.07Å; Y378-E381 PolarHBondContact O-N 3.38Å; Y378-N383 HydrophobicContact CD1-CB 3.66Å; Y378-N383 HydrophobicContact CD2-CB 4Å; Y378-N383 HydrophobicContact CE1-CB 3.25Å; Y378-N383 HydrophobicContact CE2-CB 3.63Å; Y378-N383 HydrophobicContact CG-CB 4.02Å; Y378-N383 WeakPolarHBondContact O-CB 3.48Å; Y378-N383 PolarHBondContact O-N 2.87Å; Y378-N383 PolarHBondContact O-ND2 3.45Å; Y378-N383 VanDerWaalsContact O-ND2 3.15Å |
| 379 | L | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71 | -33.6 | 177.3 | -62.9 | 173.2 | 0 | 0 | 0 | 112.8 | P332 L335 W347 Y364 L375 L376 Q377 E381 G382 N383 R384 F405 | P332-L379 HydrophobicContact CG-CD1 4.11Å; L335-L379 HydrophobicContact CD1-CD1 4.41Å; W347-L379 HydrophobicContact CH2-CD1 3.93Å; W347-L379 HydrophobicContact CH2-CD2 3.92Å; W347-L379 HydrophobicContact CH2-CG 4.41Å; W347-L379 HydrophobicContact CZ2-CD1 3.54Å; W347-L379 HydrophobicContact CZ2-CD2 3.8Å; W347-L379 HydrophobicContact CZ2-CG 4.28Å; Y364-L379 HydrophobicContact CE1-CD2 4.17Å; L375-L379 HydrophobicContact CD1-CD1 4.21Å; L375-L379 HydrophobicContact CD1-CD2 4.41Å; L375-L379 HydrophobicContact CD1-CG 4.09Å; L375-L379 HydrophobicContact CG-CD1 4.03Å; L375-L379 HydrophobicContact CG-CG 4.36Å; L375-L379 WeakPolarHBondContact O-CG 3.46Å; L375-L379 PolarHBondContact O-N 3.34Å; L376-L379 PolarHBondContact O-N 3.2Å; Q377-L379 VanDerWaalsContact C-N 3.27Å; Q377-L379 PolarHBondContact O-N 3.29Å; L379-E381 VanDerWaalsContact C-N 3.27Å; L379-E381 PolarHBondContact O-N 3.22Å; L379-G382 PolarHBondContact O-N 3.03Å; L379-G382 VanDerWaalsContact O-N 3.15Å; L379-N383 WeakPolarHBondContact CD2-O 3.34Å; L379-R384 PolarHBondContact O-NH1 3.18Å; L379-F405 HydrophobicContact CB-CE2 4.25Å |
| 380 | K | 97 | Very high | 95.8 | Very high | 109 Ų | 109 | 60.6 Ų | 60.6 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.8 | -31.1 | 175.7 | -81.1 | 176 | 176.7 | -178.2 | 0 | 112.5 | L376 Q377 G382 F405 | L376-K380 HydrophobicContact CG-CD 4.42Å; L376-K380 WeakPolarHBondContact O-CG 3.47Å; L376-K380 PolarHBondContact O-N 3.41Å; Q377-K380 WeakPolarHBondContact O-CB 3.38Å; Q377-K380 PolarHBondContact O-N 3.2Å; Q377-K380 VanDerWaalsContact O-N 3.07Å; K380-G382 PolarHBondContact O-N 3.41Å; K380-F405 HydrophobicContact CB-CE2 4.46Å; K380-F405 HydrophobicContact CG-CE2 3.77Å; K380-F405 HydrophobicContact CG-CZ 3.5Å; K380-F405 VanDerWaalsContact CG-CZ 3.5Å |
| 381 | E | 96.9 | Very high | 96.1 | Very high | 124 Ų | 124 | 59.3 Ų | 59.3 | 58% | 0.579 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -0.8 | 175.6 | -69.6 | 166.1 | -168.9 | 0 | 0 | 113.3 | Q377 Y378 L379 | Q377-E381 PolarHBondContact NE2-OE1 2.87Å; Q377-E381 PolarHBondContact O-N 2.97Å; Y378-E381 PolarHBondContact O-N 3.38Å; L379-E381 VanDerWaalsContact C-N 3.27Å; L379-E381 PolarHBondContact O-N 3.22Å |
| 382 | G | 95.6 | Very high | 96.3 | Very high | 53 Ų | 53 | 56.4 Ų | 56.4 | 55% | 0.546 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -5.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | L379 K380 | L379-G382 PolarHBondContact O-N 3.03Å; L379-G382 VanDerWaalsContact O-N 3.15Å; K380-G382 PolarHBondContact O-N 3.41Å |
| 383 | N | 96.7 | Very high | 96.4 | Very high | 59 Ų | 59 | 60.7 Ų | 60.7 | 32% | 0.316 | 33% | 0.326 | S | S | . | . | trans | -70.3 | 146.4 | 179.3 | -54.1 | -64.2 | 0 | 0 | 0 | 111.7 | Y378 L379 | Y378-N383 HydrophobicContact CD1-CB 3.66Å; Y378-N383 HydrophobicContact CD2-CB 4Å; Y378-N383 HydrophobicContact CE1-CB 3.25Å; Y378-N383 HydrophobicContact CE2-CB 3.63Å; Y378-N383 HydrophobicContact CG-CB 4.02Å; Y378-N383 WeakPolarHBondContact O-CB 3.48Å; Y378-N383 PolarHBondContact O-N 2.87Å; Y378-N383 PolarHBondContact O-ND2 3.45Å; Y378-N383 VanDerWaalsContact O-ND2 3.15Å; L379-N383 WeakPolarHBondContact CD2-O 3.34Å | ||
| 384 | R | 95.8 | Very high | 96.5 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | trans | -143.1 | 169.4 | 177.7 | -63.7 | -60.7 | -176.9 | -83.9 | -4.3 | 109.8 | L379 H386 F403 | L379-R384 PolarHBondContact O-NH1 3.18Å; R384-H386 PolarHBondContact O-N 3.43Å; R384-F403 HydrophobicContact CG-CB 4.17Å; R384-F403 PolarHBondContact NE-O 2.97Å; R384-F403 PolarHBondContact NH2-O 2.86Å | ||
| 385 | L | 97.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -54 | 132.4 | 165.5 | -68.3 | 170.7 | 0 | 0 | 0 | 109.7 | V351 W354 P363 Y364 F403 | V351-L385 HydrophobicContact CB-CD1 4.36Å; V351-L385 HydrophobicContact CG1-CD1 4.05Å; V351-L385 HydrophobicContact CG2-CD1 4.09Å; W354-L385 HydrophobicContact CB-CD1 4.05Å; W354-L385 HydrophobicContact CD2-CB 4.49Å; W354-L385 HydrophobicContact CD2-CD1 3.94Å; W354-L385 HydrophobicContact CD2-CD2 4.29Å; W354-L385 HydrophobicContact CD2-CG 4.46Å; W354-L385 HydrophobicContact CE3-CD1 4.3Å; W354-L385 HydrophobicContact CG-CB 4.15Å; W354-L385 HydrophobicContact CG-CD1 3.83Å; W354-L385 HydrophobicContact CG-CG 4.45Å; W354-L385 HydrophobicContact CZ2-CD2 4.17Å; P363-L385 HydrophobicContact CB-CD1 4.15Å; P363-L385 HydrophobicContact CB-CD2 4.05Å; Y364-L385 HydrophobicContact CD1-CD2 3.79Å; Y364-L385 HydrophobicContact CD1-CG 4.28Å; Y364-L385 HydrophobicContact CD2-CD2 4.11Å; Y364-L385 HydrophobicContact CE1-CD2 3.77Å; Y364-L385 HydrophobicContact CE1-CG 3.72Å; Y364-L385 HydrophobicContact CE2-CD1 4.17Å; Y364-L385 HydrophobicContact CE2-CD2 4.07Å; Y364-L385 HydrophobicContact CE2-CG 4Å; Y364-L385 HydrophobicContact CG-CD2 3.97Å; L385-F403 HydrophobicContact CB-CE2 4.22Å; L385-F403 HydrophobicContact CD1-CE2 4.46Å; L385-F403 HydrophobicContact CD1-CZ 3.95Å |
| 386 | H | 94.9 | Very high | 96.6 | Very high | 104 Ų | 104 | 57.9 Ų | 57.9 | 48% | 0.481 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -67 | 151.4 | 176.9 | 64.9 | -90.2 | 0 | 0 | 0 | 110.8 | W354 R384 P388 | W354-H386 AromaticContact CZ2-CE1 3.85Å; W354-H386 PolarHBondContact NE1-O 3.33Å; R384-H386 PolarHBondContact O-N 3.43Å; H386-P388 VanDerWaalsContact O-CD 3.3Å; H386-P388 WeakPolarHBondContact O-CD 3.45Å |
| 387 | T | 97.1 | Very high | 96.6 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 36% | 0.362 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 120.9 | 172 | -58.5 | 0 | 0 | 0 | 0 | 110.2 | M391 A396 | T387-M391 HydrophobicContact CG2-CB 4.31Å; T387-M391 HydrophobicContact CG2-SD 4.27Å; T387-A396 HydrophobicContact CG2-CB 3.41Å; T387-A396 VanDerWaalsContact CG2-CB 3.41Å |
| 388 | P | 96.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 143.5 | 175.4 | -22.6 | 36 | 0 | 0 | 0 | 111.8 | W354 F357 T358 H386 E390 M391 | W354-P388 HydrophobicContact CG-CG 4.4Å; F357-P388 HydrophobicContact CB-CB 3.85Å; F357-P388 HydrophobicContact CB-CG 3.89Å; T358-P388 HydrophobicContact CG2-CB 3.96Å; T358-P388 HydrophobicContact CG2-CG 3.48Å; T358-P388 VanDerWaalsContact CG2-CG 3.48Å; H386-P388 VanDerWaalsContact O-CD 3.3Å; H386-P388 WeakPolarHBondContact O-CD 3.45Å; P388-E390 VanDerWaalsContact C-N 3.29Å; P388-E390 PolarHBondContact O-N 3.35Å; P388-M391 HydrophobicContact CB-CB 4.46Å; P388-M391 HydrophobicContact CG-CE 3.99Å; P388-M391 VanDerWaalsContact O-CB 3.25Å; P388-M391 WeakPolarHBondContact O-CB 3.31Å; P388-M391 PolarHBondContact O-N 3.01Å |
| 389 | L | 93.6 | Very high | 96.7 | Very high | 178 Ų | 178 | 54.3 Ų | 54.3 | 93% | 0.932 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -36.5 | -174.7 | -176.9 | 65.5 | 0 | 0 | 0 | 113.6 | M391 | L389-M391 PolarHBondContact O-N 2.99Š|
| 390 | E | 93 | Very high | 96.8 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.3 | -179.4 | -68.8 | -168.8 | 164.9 | 0 | 0 | 113.7 | P254 K257 F357 P388 P392 | P254-E390 WeakPolarHBondContact CB-O 3.38Å; P254-E390 HydrophobicContact CG-CB 4.15Å; K257-E390 IonicContact NZ-OE2 2.91Å; K257-E390 PolarHBondContact NZ-OE2 3.11Å; F357-E390 HydrophobicContact CD1-CB 4.47Å; P388-E390 VanDerWaalsContact C-N 3.29Å; P388-E390 PolarHBondContact O-N 3.35Å; E390-P392 WeakPolarHBondContact O-CD 3.39Å |
| 391 | M | 97.5 | Very high | 96.8 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 5% | 0.054 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -75.3 | 126.4 | -177.6 | -170.2 | 176.4 | -75.1 | 0 | 0 | 110.5 | L353 F357 T387 P388 L389 A395 A396 M399 | L353-M391 HydrophobicContact CG-CE 4.26Å; F357-M391 HydrophobicContact CB-CB 4.4Å; F357-M391 HydrophobicContact CB-CE 3.77Å; F357-M391 HydrophobicContact CD1-CB 4.03Å; F357-M391 HydrophobicContact CD1-CG 4.39Å; F357-M391 HydrophobicContact CD2-CB 4.46Å; F357-M391 HydrophobicContact CD2-CE 3.41Å; F357-M391 VanDerWaalsContact CD2-CE 3.41Å; F357-M391 HydrophobicContact CD2-CG 4.09Å; F357-M391 HydrophobicContact CE1-CB 4.43Å; F357-M391 HydrophobicContact CE1-CG 4.5Å; F357-M391 HydrophobicContact CE2-CE 4.2Å; F357-M391 HydrophobicContact CE2-CG 4.19Å; F357-M391 HydrophobicContact CG-CB 4.04Å; F357-M391 HydrophobicContact CG-CE 3.76Å; F357-M391 HydrophobicContact CG-CG 4.18Å; F357-M391 HydrophobicContact CZ-CG 4.39Å; T387-M391 HydrophobicContact CG2-CB 4.31Å; T387-M391 HydrophobicContact CG2-SD 4.27Å; P388-M391 HydrophobicContact CB-CB 4.46Å; P388-M391 HydrophobicContact CG-CE 3.99Å; P388-M391 VanDerWaalsContact O-CB 3.25Å; P388-M391 WeakPolarHBondContact O-CB 3.31Å; P388-M391 PolarHBondContact O-N 3.01Å; L389-M391 PolarHBondContact O-N 2.99Å; M391-A395 HydrophobicContact CG-CB 4.12Å; M391-A396 HydrophobicContact CG-CB 4.13Å; M391-A396 VanDerWaalsContact SD-CA 3.52Å; M391-A396 HydrophobicContact SD-CB 3.87Å; M391-M399 HydrophobicContact CE-CE 4.12Å; M391-M399 HydrophobicContact CE-SD 3.57Å; M391-M399 VanDerWaalsContact CE-SD 3.57Å; M391-M399 HydrophobicContact SD-CB 4.33Å; M391-M399 HydrophobicContact SD-CE 3.91Å; M391-M399 HydrophobicContact SD-SD 3.92Å |
| 392 | P | 96.5 | Very high | 96.9 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | trans | -56.3 | 140.5 | 175 | -26.1 | 34.8 | 0 | 0 | 0 | 111.6 | L258 F357 E390 D394 A395 A396 M427 | L258-P392 HydrophobicContact CD2-CG 4.34Å; F357-P392 VanDerWaalsContact CE1-CD 3.5Å; E390-P392 WeakPolarHBondContact O-CD 3.39Å; P392-D394 VanDerWaalsContact C-N 3.27Å; P392-D394 PolarHBondContact O-N 3.06Å; P392-A395 HydrophobicContact CB-CB 4.24Å; P392-A395 WeakPolarHBondContact O-CB 3.47Å; P392-A395 PolarHBondContact O-N 3.46Å; P392-A396 PolarHBondContact O-N 3.03Å; P392-M427 HydrophobicContact CB-SD 3.98Å; P392-M427 HydrophobicContact CG-CE 3.81Å; P392-M427 HydrophobicContact CG-SD 3.33Å; P392-M427 WeakPolarHBondContact CG-SD 3.46Å | ||
| 393 | P | 96.6 | Very high | 97.1 | Very high | 104 Ų | 104 | 48 Ų | 48 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -55.3 | -38 | -176.1 | -29 | 35.6 | 0 | 0 | 0 | 114.6 | A396 T397 | P393-A396 PolarHBondContact O-N 3.02Å; P393-T397 PolarHBondContact O-N 3.35Å; P393-T397 PolarHBondContact O-OG1 2.83Å |
| 394 | D | 96.7 | Very high | 97.1 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 34% | 0.337 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 176.9 | -76.6 | 0.4 | 0 | 0 | 0 | 111.1 | P392 A396 T397 V398 K426 | P392-D394 VanDerWaalsContact C-N 3.27Å; P392-D394 PolarHBondContact O-N 3.06Å; D394-A396 VanDerWaalsContact C-N 3.35Å; D394-A396 PolarHBondContact O-N 3.3Å; D394-T397 WeakPolarHBondContact O-CB 3.38Å; D394-T397 PolarHBondContact O-N 3.36Å; D394-V398 WeakPolarHBondContact O-CG2 3.27Å; D394-V398 PolarHBondContact O-N 3.33Å; D394-K426 VanDerWaalsContact OD2-CD 3.3Å; D394-K426 WeakPolarHBondContact OD2-CD 3.46Å; D394-K426 IonicContact OD2-NZ 3.89Å; D394-K426 PolarHBondContact OD2-NZ 2.91Å |
| 395 | A | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L258 M391 P392 T397 V398 M399 L420 | L258-A395 HydrophobicContact CD1-CB 4.07Å; M391-A395 HydrophobicContact CG-CB 4.12Å; P392-A395 HydrophobicContact CB-CB 4.24Å; P392-A395 WeakPolarHBondContact O-CB 3.47Å; P392-A395 PolarHBondContact O-N 3.46Å; A395-T397 VanDerWaalsContact C-N 3.35Å; A395-V398 PolarHBondContact O-N 2.85Å; A395-M399 WeakPolarHBondContact O-CB 3.48Å; A395-M399 PolarHBondContact O-N 3.34Å; A395-L420 HydrophobicContact CB-CD2 3.88Å |
| 396 | A | 98.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 53.4 Ų | 53.4 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | T387 M391 P392 P393 D394 M399 N400 | T387-A396 HydrophobicContact CG2-CB 3.41Å; T387-A396 VanDerWaalsContact CG2-CB 3.41Å; M391-A396 HydrophobicContact CG-CB 4.13Å; M391-A396 VanDerWaalsContact SD-CA 3.52Å; M391-A396 HydrophobicContact SD-CB 3.87Å; P392-A396 PolarHBondContact O-N 3.03Å; P393-A396 PolarHBondContact O-N 3.02Å; D394-A396 VanDerWaalsContact C-N 3.35Å; D394-A396 PolarHBondContact O-N 3.3Å; A396-M399 PolarHBondContact O-N 3.46Å; A396-N400 WeakPolarHBondContact O-CB 3.21Å; A396-N400 VanDerWaalsContact O-CG 3.29Å; A396-N400 PolarHBondContact O-N 3.5Å; A396-N400 PolarHBondContact O-ND2 3.24Å; A396-N400 VanDerWaalsContact O-ND2 3.13Å |
| 397 | T | 98.2 | Very high | 97.3 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -47 | 175.7 | -59.9 | 0 | 0 | 0 | 0 | 110.9 | P393 D394 A395 N400 Q401 | P393-T397 PolarHBondContact O-N 3.35Å; P393-T397 PolarHBondContact O-OG1 2.83Å; D394-T397 WeakPolarHBondContact O-CB 3.38Å; D394-T397 PolarHBondContact O-N 3.36Å; A395-T397 VanDerWaalsContact C-N 3.35Å; T397-N400 PolarHBondContact O-N 3.33Å; T397-Q401 WeakPolarHBondContact O-CG 3.26Å; T397-Q401 PolarHBondContact O-N 3.34Å |
| 398 | V | 98.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 176.4 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | D394 A395 N400 Q401 M402 V416 A419 L420 | D394-V398 WeakPolarHBondContact O-CG2 3.27Å; D394-V398 PolarHBondContact O-N 3.33Å; A395-V398 PolarHBondContact O-N 2.85Å; V398-N400 VanDerWaalsContact C-N 3.35Å; V398-N400 PolarHBondContact O-N 3.44Å; V398-Q401 WeakPolarHBondContact O-CB 3.3Å; V398-Q401 PolarHBondContact O-N 3.19Å; V398-M402 WeakPolarHBondContact O-CG 3.41Å; V398-M402 PolarHBondContact O-N 2.98Å; V398-V416 HydrophobicContact CG1-CB 4.39Å; V398-V416 HydrophobicContact CG1-CG1 4.05Å; V398-V416 HydrophobicContact CG1-CG2 4.22Å; V398-A419 HydrophobicContact CG1-CB 4.4Å; V398-A419 HydrophobicContact CG2-CB 3.54Å; V398-L420 HydrophobicContact CB-CD2 4.22Å; V398-L420 HydrophobicContact CG1-CD2 4.22Å; V398-L420 HydrophobicContact CG1-CG 4.36Å |
| 399 | M | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 176.7 | -169.6 | -174.6 | 65.4 | 0 | 0 | 112.2 | L353 W354 M391 A395 A396 Q401 M402 F403 | L353-M399 HydrophobicContact CD2-CB 3.9Å; L353-M399 HydrophobicContact CD2-CG 4.22Å; W354-M399 HydrophobicContact CB-SD 3.87Å; M391-M399 HydrophobicContact CE-CE 4.12Å; M391-M399 HydrophobicContact CE-SD 3.57Å; M391-M399 VanDerWaalsContact CE-SD 3.57Å; M391-M399 HydrophobicContact SD-CB 4.33Å; M391-M399 HydrophobicContact SD-CE 3.91Å; M391-M399 HydrophobicContact SD-SD 3.92Å; A395-M399 WeakPolarHBondContact O-CB 3.48Å; A395-M399 PolarHBondContact O-N 3.34Å; A396-M399 PolarHBondContact O-N 3.46Å; M399-Q401 VanDerWaalsContact C-N 3.28Å; M399-Q401 PolarHBondContact O-N 3.37Å; M399-M402 HydrophobicContact CB-CE 4.3Å; M399-M402 HydrophobicContact CG-CE 4.37Å; M399-M402 WeakPolarHBondContact O-CB 3.44Å; M399-M402 PolarHBondContact O-N 3.32Å; M399-F403 HydrophobicContact CE-CE2 4.22Å; M399-F403 HydrophobicContact CG-CD2 4.23Å; M399-F403 HydrophobicContact CG-CE2 3.69Å; M399-F403 HydrophobicContact CG-CZ 4.31Å; M399-F403 PolarHBondContact O-N 3.37Å; M399-F403 HydrophobicContact SD-CE2 3.96Å |
| 400 | N | 98.3 | Very high | 97.6 | Very high | 75 Ų | 75 | 49.9 Ų | 49.9 | 40% | 0.401 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.9 | -32 | -179.4 | -71.1 | -32.7 | 0 | 0 | 0 | 112.4 | A396 T397 V398 M402 F403 | A396-N400 WeakPolarHBondContact O-CB 3.21Å; A396-N400 VanDerWaalsContact O-CG 3.29Å; A396-N400 PolarHBondContact O-N 3.5Å; A396-N400 PolarHBondContact O-ND2 3.24Å; A396-N400 VanDerWaalsContact O-ND2 3.13Å; T397-N400 PolarHBondContact O-N 3.33Å; V398-N400 VanDerWaalsContact C-N 3.35Å; V398-N400 PolarHBondContact O-N 3.44Å; N400-M402 VanDerWaalsContact C-N 3.33Å; N400-M402 PolarHBondContact O-N 3.45Å; N400-F403 PolarHBondContact O-N 3.43Å |
| 401 | Q | 98.4 | Very high | 97.8 | Very high | 73 Ų | 73 | 46 Ų | 46 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.1 | -35.1 | 172.1 | -66.9 | 170.9 | 5.3 | 0 | 0 | 112.4 | T397 V398 M399 F403 H404 P411 | T397-Q401 WeakPolarHBondContact O-CG 3.26Å; T397-Q401 PolarHBondContact O-N 3.34Å; V398-Q401 WeakPolarHBondContact O-CB 3.3Å; V398-Q401 PolarHBondContact O-N 3.19Å; M399-Q401 VanDerWaalsContact C-N 3.28Å; M399-Q401 PolarHBondContact O-N 3.37Å; Q401-F403 PolarHBondContact O-N 3.11Å; Q401-H404 PolarHBondContact O-N 3.06Å; Q401-P411 HydrophobicContact CB-CG 4.26Å; Q401-P411 WeakPolarHBondContact O-CD 3.47Å |
| 402 | M | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -26.2 | 175.7 | -62.3 | -169.8 | -81.2 | 0 | 0 | 112.6 | V346 F349 L353 V398 M399 N400 H404 R410 P411 V416 | V346-M402 HydrophobicContact CG1-CB 3.87Å; V346-M402 HydrophobicContact CG1-CG 3.62Å; V346-M402 HydrophobicContact CG1-SD 4.09Å; F349-M402 HydrophobicContact CB-SD 4.46Å; F349-M402 HydrophobicContact CD1-CE 4.01Å; F349-M402 HydrophobicContact CD1-SD 3.79Å; L353-M402 HydrophobicContact CB-CE 4.43Å; L353-M402 HydrophobicContact CD2-CE 3.72Å; V398-M402 WeakPolarHBondContact O-CG 3.41Å; V398-M402 PolarHBondContact O-N 2.98Å; M399-M402 HydrophobicContact CB-CE 4.3Å; M399-M402 HydrophobicContact CG-CE 4.37Å; M399-M402 WeakPolarHBondContact O-CB 3.44Å; M399-M402 PolarHBondContact O-N 3.32Å; N400-M402 VanDerWaalsContact C-N 3.33Å; N400-M402 PolarHBondContact O-N 3.45Å; M402-H404 VanDerWaalsContact C-N 3.3Å; M402-H404 PolarHBondContact O-N 3.12Å; M402-R410 VanDerWaalsContact O-CD 3.24Å; M402-R410 WeakPolarHBondContact O-CD 3.43Å; M402-R410 WeakPolarHBondContact O-CG 3.49Å; M402-P411 HydrophobicContact CG-CG 4.09Å; M402-V416 HydrophobicContact CE-CG1 4.21Å; M402-V416 HydrophobicContact CG-CG2 3.93Å; M402-V416 HydrophobicContact SD-CB 4.41Å; M402-V416 HydrophobicContact SD-CG1 3.76Å; M402-V416 HydrophobicContact SD-CG2 3.72Å |
| 403 | F | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 17.6 | 178 | -66.9 | -37.3 | 0 | 0 | 0 | 114.8 | W347 G350 V351 R384 L385 M399 N400 Q401 F405 | W347-F403 AromaticContact CD2-CD1 3.94Å; W347-F403 HydrophobicContact CD2-CD1 3.94Å; W347-F403 AromaticContact CE2-CD1 3.98Å; W347-F403 HydrophobicContact CE3-CD1 4.12Å; W347-F403 HydrophobicContact CG-CD1 4.44Å; W347-F403 HydrophobicContact CH2-CD1 4.4Å; W347-F403 HydrophobicContact CZ2-CD1 4.2Å; W347-F403 HydrophobicContact CZ3-CB 4.32Å; W347-F403 HydrophobicContact CZ3-CD1 4.37Å; W347-F403 WeakPolarHBondContact CZ3-O 3.43Å; G350-F403 WeakPolarHBondContact O-CZ 3.4Å; V351-F403 HydrophobicContact CG2-CE1 3.75Å; V351-F403 HydrophobicContact CG2-CZ 4.08Å; R384-F403 HydrophobicContact CG-CB 4.17Å; R384-F403 PolarHBondContact NE-O 2.97Å; R384-F403 PolarHBondContact NH2-O 2.86Å; L385-F403 HydrophobicContact CB-CE2 4.22Å; L385-F403 HydrophobicContact CD1-CE2 4.46Å; L385-F403 HydrophobicContact CD1-CZ 3.95Å; M399-F403 HydrophobicContact CE-CE2 4.22Å; M399-F403 HydrophobicContact CG-CD2 4.23Å; M399-F403 HydrophobicContact CG-CE2 3.69Å; M399-F403 HydrophobicContact CG-CZ 4.31Å; M399-F403 PolarHBondContact O-N 3.37Å; M399-F403 HydrophobicContact SD-CE2 3.96Å; N400-F403 PolarHBondContact O-N 3.43Å; Q401-F403 PolarHBondContact O-N 3.11Å; F403-F405 PolarHBondContact O-N 3.12Å |
| 404 | H | 98.3 | Very high | 97.8 | Very high | 77 Ų | 77 | 44.9 Ų | 44.9 | 36% | 0.356 | 25% | 0.245 | S | C | . | . | trans | -61.5 | 131.8 | 172.7 | -162.3 | -72.7 | 0 | 0 | 0 | 111 | Q401 M402 N406 L409 R410 | Q401-H404 PolarHBondContact O-N 3.06Å; M402-H404 VanDerWaalsContact C-N 3.3Å; M402-H404 PolarHBondContact O-N 3.12Å; H404-N406 PolarHBondContact ND1-N 3.45Å; H404-N406 VanDerWaalsContact ND1-N 3.16Å; H404-N406 PolarHBondContact ND1-O 2.87Å; H404-L409 HydrophobicContact CB-CB 4.4Å; H404-L409 WeakPolarHBondContact CE1-CD1 3.5Å; H404-L409 WeakPolarHBondContact NE2-CD1 3.44Å; H404-R410 HydrophobicContact CB-CG 3.95Å; H404-R410 PolarHBondContact O-NE 2.93Å; H404-R410 PolarHBondContact O-NH2 3.38Å | ||
| 405 | F | 97.7 | Very high | 97.8 | Very high | 81 Ų | 81 | 47 Ų | 47 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -61.9 | -52 | -176.3 | -165.4 | -96.9 | 0 | 0 | 0 | 111.4 | P332 L376 L379 K380 F403 M407 R410 | P332-F405 HydrophobicContact CB-CD2 4.17Å; P332-F405 HydrophobicContact CB-CE2 3.71Å; P332-F405 HydrophobicContact CB-CZ 3.95Å; P332-F405 HydrophobicContact CG-CD2 3.86Å; P332-F405 HydrophobicContact CG-CE2 3.83Å; L376-F405 HydrophobicContact CD1-CZ 4.44Å; L379-F405 HydrophobicContact CB-CE2 4.25Å; K380-F405 HydrophobicContact CB-CE2 4.46Å; K380-F405 HydrophobicContact CG-CE2 3.77Å; K380-F405 HydrophobicContact CG-CZ 3.5Å; K380-F405 VanDerWaalsContact CG-CZ 3.5Å; F403-F405 PolarHBondContact O-N 3.12Å; F405-M407 PolarHBondContact O-N 3.47Å; F405-R410 PolarHBondContact O-NH2 2.86Å; F405-R410 VanDerWaalsContact O-NH2 3.08Å |
| 406 | N | 96.9 | Very high | 97.9 | Very high | 73 Ų | 73 | 47 Ų | 47 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -67.5 | 118.7 | 170.3 | -177.8 | -9.8 | 0 | 0 | 0 | 109.9 | H404 D408 L409 | H404-N406 PolarHBondContact ND1-N 3.45Å; H404-N406 VanDerWaalsContact ND1-N 3.16Å; H404-N406 PolarHBondContact ND1-O 2.87Å; N406-D408 VanDerWaalsContact C-N 3.25Å; N406-D408 PolarHBondContact O-N 3.25Å; N406-D408 PolarHBondContact OD1-N 2.95Å; N406-L409 HydrophobicContact CB-CD1 4.22Å; N406-L409 HydrophobicContact CB-CG 4.44Å; N406-L409 PolarHBondContact O-N 3.03Å |
| 407 | M | 96.9 | Very high | 97.9 | Very high | 51 Ų | 51 | 47 Ų | 47 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -61.3 | -29.4 | -178.7 | 71.2 | 178.5 | -171.1 | 0 | 0 | 113.7 | E333 L339 T341 K343 F405 L409 R410 | E333-M407 HydrophobicContact CG-SD 4.19Å; L339-M407 HydrophobicContact CD2-SD 4.48Å; T341-M407 HydrophobicContact CG2-SD 4.46Å; K343-M407 HydrophobicContact CB-CB 3.92Å; K343-M407 WeakPolarHBondContact CG-O 3.42Å; K343-M407 PolarHBondContact NZ-O 3.42Å; F405-M407 PolarHBondContact O-N 3.47Å; M407-L409 PolarHBondContact O-N 2.94Å; M407-R410 PolarHBondContact O-N 3.13Å |
| 408 | D | 96.4 | Very high | 97.9 | Very high | 109 Ų | 109 | 49.9 Ų | 49.9 | 58% | 0.583 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -69 | -28.5 | -177.4 | -66.1 | -33 | 0 | 0 | 0 | 111.8 | K343 N406 | K343-D408 PolarHBondContact NZ-O 3.43Å; N406-D408 VanDerWaalsContact C-N 3.25Å; N406-D408 PolarHBondContact O-N 3.25Å; N406-D408 PolarHBondContact OD1-N 2.95Å |
| 409 | L | 98.2 | Very high | 97.9 | Very high | 112 Ų | 112 | 50.5 Ų | 50.5 | 59% | 0.586 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -86.2 | -7.4 | 179.3 | -64.2 | 176.5 | 0 | 0 | 0 | 113.6 | H404 N406 M407 | H404-L409 HydrophobicContact CB-CB 4.4Å; H404-L409 WeakPolarHBondContact CE1-CD1 3.5Å; H404-L409 WeakPolarHBondContact NE2-CD1 3.44Å; N406-L409 HydrophobicContact CB-CD1 4.22Å; N406-L409 HydrophobicContact CB-CG 4.44Å; N406-L409 PolarHBondContact O-N 3.03Å; M407-L409 PolarHBondContact O-N 2.94Å |
| 410 | R | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -70.4 | 145.2 | 171.3 | -61.3 | 177.4 | -160.4 | 146.5 | 11.7 | 110.1 | E333 K343 V346 M402 H404 F405 M407 | E333-R410 IonicContact OE1-CZ 3.52Å; E333-R410 IonicContact OE1-NH1 3.66Å; E333-R410 PolarHBondContact OE1-NH1 2.8Å; E333-R410 IonicContact OE1-NH2 2.81Å; E333-R410 IonicContact OE2-CZ 3.36Å; E333-R410 IonicContact OE2-NH1 2.81Å; E333-R410 PolarHBondContact OE2-NH1 3.36Å; E333-R410 IonicContact OE2-NH2 2.66Å; E333-R410 PolarHBondContact OE2-NH2 3.08Å; K343-R410 HydrophobicContact CD-CB 4.38Å; K343-R410 WeakPolarHBondContact CE-O 3.49Å; K343-R410 PolarHBondContact NZ-O 2.89Å; K343-R410 WeakPolarHBondContact O-CD 3.25Å; K343-R410 PolarHBondContact O-NH1 3.42Å; V346-R410 HydrophobicContact CG1-CB 4.2Å; M402-R410 VanDerWaalsContact O-CD 3.24Å; M402-R410 WeakPolarHBondContact O-CD 3.43Å; M402-R410 WeakPolarHBondContact O-CG 3.49Å; H404-R410 HydrophobicContact CB-CG 3.95Å; H404-R410 PolarHBondContact O-NE 2.93Å; H404-R410 PolarHBondContact O-NH2 3.38Å; F405-R410 PolarHBondContact O-NH2 2.86Å; F405-R410 VanDerWaalsContact O-NH2 3.08Å; M407-R410 PolarHBondContact O-N 3.13Å |
| 411 | P | 98.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 13% | 0.13 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 171.9 | 175.6 | 28.3 | -34.9 | 0 | 0 | 0 | 112.2 | V346 Q401 M402 Y415 V416 | V346-P411 HydrophobicContact CG1-CG 4.32Å; V346-P411 WeakPolarHBondContact CG2-O 3.41Å; Q401-P411 HydrophobicContact CB-CG 4.26Å; Q401-P411 WeakPolarHBondContact O-CD 3.47Å; M402-P411 HydrophobicContact CG-CG 4.09Å; P411-Y415 HydrophobicContact CB-CD1 3.44Å; P411-Y415 VanDerWaalsContact CB-CD1 3.44Å; P411-Y415 HydrophobicContact CB-CE1 4.11Å; P411-Y415 HydrophobicContact CB-CG 4.17Å; P411-Y415 HydrophobicContact CG-CD1 4.28Å; P411-V416 HydrophobicContact CB-CG2 4.13Å; P411-V416 HydrophobicContact CG-CG2 3.66Å |
| 412 | S | 97 | Very high | 97.8 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 157 | 165.8 | 68.1 | 0 | 0 | 0 | 0 | 110.5 | A414 Y415 V416 | S412-A414 PolarHBondContact O-N 2.67Å; S412-Y415 PolarHBondContact O-N 2.96Å; S412-Y415 VanDerWaalsContact O-N 3.15Å; S412-Y415 PolarHBondContact OG-N 3.27Å; S412-V416 WeakPolarHBondContact O-CG2 3.3Å; S412-V416 PolarHBondContact O-N 2.71Å |
| 413 | M | 97 | Very high | 97.8 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -25.5 | 174.5 | -78.3 | -53.4 | -57 | 0 | 0 | 113.5 | A265 I268 A269 V346 F349 V416 A417 | A265-M413 HydrophobicContact CB-CE 3.95Å; I268-M413 HydrophobicContact CB-CE 4.06Å; I268-M413 HydrophobicContact CB-CG 4.23Å; I268-M413 HydrophobicContact CG2-CB 4.31Å; I268-M413 HydrophobicContact CG2-CE 4.42Å; I268-M413 HydrophobicContact CG2-CG 3.67Å; A269-M413 HydrophobicContact CB-CB 4.15Å; V346-M413 HydrophobicContact CB-SD 4.39Å; V346-M413 HydrophobicContact CG2-CG 3.72Å; V346-M413 HydrophobicContact CG2-SD 3.93Å; F349-M413 HydrophobicContact CB-CE 4.12Å; F349-M413 HydrophobicContact CB-SD 3.87Å; F349-M413 HydrophobicContact CD1-CE 3.59Å; F349-M413 HydrophobicContact CD1-SD 4.09Å; F349-M413 HydrophobicContact CD2-CE 3.64Å; F349-M413 HydrophobicContact CD2-SD 4.49Å; F349-M413 HydrophobicContact CE1-CE 3.92Å; F349-M413 HydrophobicContact CE2-CE 3.96Å; F349-M413 HydrophobicContact CG-CE 3.46Å; F349-M413 VanDerWaalsContact CG-CE 3.46Å; F349-M413 HydrophobicContact CG-SD 3.87Å; F349-M413 HydrophobicContact CZ-CE 4.11Å; M413-V416 HydrophobicContact CE-CB 4.15Å; M413-V416 HydrophobicContact CE-CG1 3.94Å; M413-V416 PolarHBondContact O-N 3.14Å; M413-V416 HydrophobicContact SD-CB 4.11Å; M413-V416 HydrophobicContact SD-CG1 4.24Å; M413-V416 HydrophobicContact SD-CG2 4.24Å; M413-A417 WeakPolarHBondContact O-CB 3.41Å; M413-A417 PolarHBondContact O-N 2.96Å |
| 414 | A | 95.9 | Very high | 97.7 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S412 A417 E418 | S412-A414 PolarHBondContact O-N 2.67Å; A414-A417 PolarHBondContact O-N 2.97Å; A414-E418 WeakPolarHBondContact O-CG 3.41Å; A414-E418 PolarHBondContact O-N 3.3Å; A414-E418 VanDerWaalsContact O-N 3.08Å |
| 415 | Y | 98 | Very high | 97.7 | Very high | 107 Ų | 107 | 49.5 Ų | 49.5 | 42% | 0.42 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 174.9 | 173.8 | -89.6 | 0 | 0 | 0 | 111.9 | P411 S412 A417 E418 A419 | P411-Y415 HydrophobicContact CB-CD1 3.44Å; P411-Y415 VanDerWaalsContact CB-CD1 3.44Å; P411-Y415 HydrophobicContact CB-CE1 4.11Å; P411-Y415 HydrophobicContact CB-CG 4.17Å; P411-Y415 HydrophobicContact CG-CD1 4.28Å; S412-Y415 PolarHBondContact O-N 2.96Å; S412-Y415 VanDerWaalsContact O-N 3.15Å; S412-Y415 PolarHBondContact OG-N 3.27Å; Y415-A417 VanDerWaalsContact C-N 3.35Å; Y415-A417 PolarHBondContact O-N 2.95Å; Y415-E418 PolarHBondContact O-N 3.21Å; Y415-A419 HydrophobicContact CE1-CB 4.22Å; Y415-A419 VanDerWaalsContact O-CB 3.31Å; Y415-A419 WeakPolarHBondContact O-CB 3.29Å; Y415-A419 PolarHBondContact O-N 3.23Å |
| 416 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 178.5 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | F349 V398 M402 P411 S412 M413 E418 A419 L420 | F349-V416 HydrophobicContact CD1-CG1 4.07Å; F349-V416 HydrophobicContact CE1-CG1 3.98Å; V398-V416 HydrophobicContact CG1-CB 4.39Å; V398-V416 HydrophobicContact CG1-CG1 4.05Å; V398-V416 HydrophobicContact CG1-CG2 4.22Å; M402-V416 HydrophobicContact CE-CG1 4.21Å; M402-V416 HydrophobicContact CG-CG2 3.93Å; M402-V416 HydrophobicContact SD-CB 4.41Å; M402-V416 HydrophobicContact SD-CG1 3.76Å; M402-V416 HydrophobicContact SD-CG2 3.72Å; P411-V416 HydrophobicContact CB-CG2 4.13Å; P411-V416 HydrophobicContact CG-CG2 3.66Å; S412-V416 WeakPolarHBondContact O-CG2 3.3Å; S412-V416 PolarHBondContact O-N 2.71Å; M413-V416 HydrophobicContact CE-CB 4.15Å; M413-V416 HydrophobicContact CE-CG1 3.94Å; M413-V416 PolarHBondContact O-N 3.14Å; M413-V416 HydrophobicContact SD-CB 4.11Å; M413-V416 HydrophobicContact SD-CG1 4.24Å; M413-V416 HydrophobicContact SD-CG2 4.24Å; V416-E418 PolarHBondContact O-N 2.75Å; V416-A419 PolarHBondContact O-N 3.35Å; V416-L420 HydrophobicContact CG1-CD1 3.85Å; V416-L420 HydrophobicContact CG1-CG 4.27Å; V416-L420 WeakPolarHBondContact O-CB 3.45Å; V416-L420 VanDerWaalsContact O-CG 3.27Å; V416-L420 WeakPolarHBondContact O-CG 3.48Å; V416-L420 PolarHBondContact O-N 3.21Å |
| 417 | A | 98.2 | Very high | 97.4 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 7% | 0.066 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | A265 Q266 A269 M413 A414 Y415 Q421 | A265-A417 HydrophobicContact CB-CB 3.86Å; Q266-A417 HydrophobicContact CG-CB 4.18Å; A269-A417 HydrophobicContact CB-CB 4.27Å; M413-A417 WeakPolarHBondContact O-CB 3.41Å; M413-A417 PolarHBondContact O-N 2.96Å; A414-A417 PolarHBondContact O-N 2.97Å; Y415-A417 VanDerWaalsContact C-N 3.35Å; Y415-A417 PolarHBondContact O-N 2.95Å; A417-Q421 WeakPolarHBondContact O-CB 3.44Å; A417-Q421 PolarHBondContact O-N 3.38Å |
| 418 | E | 98.4 | Very high | 97.1 | Very high | 139 Ų | 139 | 52.5 Ų | 52.5 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.4 | -44.3 | 177 | -72.8 | 172.6 | -170.7 | 0 | 0 | 112.2 | A414 Y415 V416 Q421 A422 | A414-E418 WeakPolarHBondContact O-CG 3.41Å; A414-E418 PolarHBondContact O-N 3.3Å; A414-E418 VanDerWaalsContact O-N 3.08Å; Y415-E418 PolarHBondContact O-N 3.21Å; V416-E418 PolarHBondContact O-N 2.75Å; E418-Q421 PolarHBondContact O-N 3.33Å; E418-A422 WeakPolarHBondContact O-CB 3.15Å; E418-A422 PolarHBondContact O-N 2.7Å |
| 419 | A | 98.7 | Very high | 96.6 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V398 Y415 V416 A422 S423 | V398-A419 HydrophobicContact CG1-CB 4.4Å; V398-A419 HydrophobicContact CG2-CB 3.54Å; Y415-A419 HydrophobicContact CE1-CB 4.22Å; Y415-A419 VanDerWaalsContact O-CB 3.31Å; Y415-A419 WeakPolarHBondContact O-CB 3.29Å; Y415-A419 PolarHBondContact O-N 3.23Å; V416-A419 PolarHBondContact O-N 3.35Å; A419-A422 PolarHBondContact O-N 2.85Å; A419-S423 PolarHBondContact O-N 3.5Å |
| 420 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 174.4 | -65.7 | 179.6 | 0 | 0 | 0 | 111.7 | L258 V262 A265 F349 L353 A395 V398 V416 S423 L424 | L258-L420 HydrophobicContact CD1-CB 4.26Å; L258-L420 HydrophobicContact CD1-CD2 4Å; V262-L420 HydrophobicContact CG2-CB 3.64Å; A265-L420 HydrophobicContact CB-CD1 4.32Å; F349-L420 HydrophobicContact CE1-CD1 3.98Å; L353-L420 HydrophobicContact CD1-CD1 4.46Å; L353-L420 HydrophobicContact CD2-CD1 4.24Å; L353-L420 HydrophobicContact CD2-CD2 4.06Å; A395-L420 HydrophobicContact CB-CD2 3.88Å; V398-L420 HydrophobicContact CB-CD2 4.22Å; V398-L420 HydrophobicContact CG1-CD2 4.22Å; V398-L420 HydrophobicContact CG1-CG 4.36Å; V416-L420 HydrophobicContact CG1-CD1 3.85Å; V416-L420 HydrophobicContact CG1-CG 4.27Å; V416-L420 WeakPolarHBondContact O-CB 3.45Å; V416-L420 VanDerWaalsContact O-CG 3.27Å; V416-L420 WeakPolarHBondContact O-CG 3.48Å; V416-L420 PolarHBondContact O-N 3.21Å; L420-S423 WeakPolarHBondContact O-CB 3.33Å; L420-S423 PolarHBondContact O-N 3.1Å; L420-L424 PolarHBondContact O-N 3.19Å |
| 421 | Q | 98.1 | Very high | 93.9 | Very high | 56 Ų | 56 | 59.9 Ų | 59.9 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 172.9 | -176.8 | 71 | 61.6 | 0 | 0 | 110.9 | V262 A417 E418 S423 L424 E425 | V262-Q421 HydrophobicContact CG1-CB 4.25Å; A417-Q421 WeakPolarHBondContact O-CB 3.44Å; A417-Q421 PolarHBondContact O-N 3.38Å; E418-Q421 PolarHBondContact O-N 3.33Å; Q421-S423 VanDerWaalsContact C-N 3.33Å; Q421-S423 PolarHBondContact O-N 3.31Å; Q421-L424 WeakPolarHBondContact O-CB 3.27Å; Q421-L424 PolarHBondContact O-N 3.5Å; Q421-L424 VanDerWaalsContact O-N 3.12Å; Q421-E425 PolarHBondContact NE2-OE1 3.37Å; Q421-E425 WeakPolarHBondContact O-CG 3.3Å; Q421-E425 PolarHBondContact O-N 3.17Å |
| 422 | A | 98.1 | Very high | 93.7 | Very high | 51 Ų | 51 | 61.9 Ų | 61.9 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E418 A419 L424 E425 K426 | E418-A422 WeakPolarHBondContact O-CB 3.15Å; E418-A422 PolarHBondContact O-N 2.7Å; A419-A422 PolarHBondContact O-N 2.85Å; A422-L424 VanDerWaalsContact C-N 3.3Å; A422-L424 PolarHBondContact O-N 2.68Å; A422-E425 PolarHBondContact O-N 3.03Å; A422-K426 WeakPolarHBondContact O-CG 3.48Å; A422-K426 PolarHBondContact O-N 3.46Å; A422-K426 VanDerWaalsContact O-N 3.12Å |
| 423 | S | 97.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 172.7 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | A419 L420 Q421 K426 M427 | A419-S423 PolarHBondContact O-N 3.5Å; L420-S423 WeakPolarHBondContact O-CB 3.33Å; L420-S423 PolarHBondContact O-N 3.1Å; Q421-S423 VanDerWaalsContact C-N 3.33Å; Q421-S423 PolarHBondContact O-N 3.31Å; S423-K426 PolarHBondContact O-N 3.05Å; S423-M427 WeakPolarHBondContact O-CG 3.48Å; S423-M427 PolarHBondContact O-N 3.16Å |
| 424 | L | 97.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 178.9 | -176.3 | 69.3 | 0 | 0 | 0 | 112 | Y255 L258 R259 V262 L420 Q421 A422 K426 M427 K428 | Y255-L424 HydrophobicContact CD2-CD1 3.61Å; Y255-L424 HydrophobicContact CE2-CD1 3.44Å; Y255-L424 VanDerWaalsContact CE2-CD1 3.44Å; Y255-L424 HydrophobicContact CE2-CG 4.05Å; Y255-L424 HydrophobicContact CG-CD1 4.32Å; L258-L424 HydrophobicContact CB-CD1 4.11Å; L258-L424 HydrophobicContact CD2-CB 3.96Å; L258-L424 HydrophobicContact CD2-CD1 4.16Å; L258-L424 HydrophobicContact CG-CB 4.22Å; L258-L424 HydrophobicContact CG-CD1 4.1Å; R259-L424 HydrophobicContact CB-CD1 3.97Å; R259-L424 HydrophobicContact CB-CD2 3.91Å; R259-L424 HydrophobicContact CG-CD2 4.06Å; V262-L424 HydrophobicContact CG2-CD2 4.47Å; L420-L424 PolarHBondContact O-N 3.19Å; Q421-L424 WeakPolarHBondContact O-CB 3.27Å; Q421-L424 PolarHBondContact O-N 3.5Å; Q421-L424 VanDerWaalsContact O-N 3.12Å; A422-L424 VanDerWaalsContact C-N 3.3Å; A422-L424 PolarHBondContact O-N 2.68Å; L424-K426 VanDerWaalsContact C-N 3.32Å; L424-K426 PolarHBondContact O-N 3.41Å; L424-M427 PolarHBondContact O-N 3.44Å; L424-K428 PolarHBondContact O-N 3.29Å |
| 425 | E | 97.1 | Very high | 93.2 | Very high | 92 Ų | 92 | 66.6 Ų | 66.6 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.7 | -36 | 177.9 | -65.6 | -51.8 | 140 | 0 | 0 | 112.1 | Q421 A422 K428 A429 | Q421-E425 PolarHBondContact NE2-OE1 3.37Å; Q421-E425 WeakPolarHBondContact O-CG 3.3Å; Q421-E425 PolarHBondContact O-N 3.17Å; A422-E425 PolarHBondContact O-N 3.03Å; E425-K428 WeakPolarHBondContact O-CB 3.39Å; E425-K428 PolarHBondContact O-N 3.17Å; E425-A429 PolarHBondContact O-N 3.46Å; E425-A429 VanDerWaalsContact O-N 3.1Å |
| 426 | K | 95.1 | Very high | 92.9 | Very high | 115 Ų | 115 | 64.1 Ų | 64.1 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 172.8 | -72.4 | 177.6 | -174.7 | 179.6 | 0 | 111.7 | D394 A422 S423 L424 K428 A429 D430 | D394-K426 VanDerWaalsContact OD2-CD 3.3Å; D394-K426 WeakPolarHBondContact OD2-CD 3.46Å; D394-K426 IonicContact OD2-NZ 3.89Å; D394-K426 PolarHBondContact OD2-NZ 2.91Å; A422-K426 WeakPolarHBondContact O-CG 3.48Å; A422-K426 PolarHBondContact O-N 3.46Å; A422-K426 VanDerWaalsContact O-N 3.12Å; S423-K426 PolarHBondContact O-N 3.05Å; L424-K426 VanDerWaalsContact C-N 3.32Å; L424-K426 PolarHBondContact O-N 3.41Å; K426-K428 PolarHBondContact O-N 3.06Å; K426-A429 PolarHBondContact O-N 3.26Å; K426-D430 PolarHBondContact O-N 3.33Å; K426-D430 VanDerWaalsContact O-N 3.16Å |
| 427 | M | 93.5 | Very high | 92.5 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 19% | 0.192 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.3 | -35.1 | 177.1 | -69.1 | 179.4 | 75.4 | 0 | 0 | 112.6 | P254 Y255 L258 P392 S423 L424 A429 D430 C431 | P254-M427 HydrophobicContact CB-CE 4.08Å; Y255-M427 HydrophobicContact CD2-CB 4.02Å; L258-M427 HydrophobicContact CD2-SD 3.62Å; P392-M427 HydrophobicContact CB-SD 3.98Å; P392-M427 HydrophobicContact CG-CE 3.81Å; P392-M427 HydrophobicContact CG-SD 3.33Å; P392-M427 WeakPolarHBondContact CG-SD 3.46Å; S423-M427 WeakPolarHBondContact O-CG 3.48Å; S423-M427 PolarHBondContact O-N 3.16Å; L424-M427 PolarHBondContact O-N 3.44Å; M427-A429 VanDerWaalsContact C-N 3.34Å; M427-D430 PolarHBondContact O-N 3.37Å; M427-C431 PolarHBondContact O-N 3.25Å; M427-C431 PolarHBondContact O-SG 3.03Å; M427-C431 VanDerWaalsContact O-SG 3.33Å |
| 428 | K | 90.9 | Very high | 92.1 | Very high | 114 Ų | 114 | 72.7 Ų | 72.7 | 50% | 0.496 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.4 | -32.4 | 176.7 | -168.9 | -179.6 | 174.6 | -173.2 | 0 | 112.6 | Y255 L424 E425 K426 D430 | Y255-K428 HydrophobicContact CE2-CB 3.94Å; Y255-K428 HydrophobicContact CE2-CG 4.46Å; L424-K428 PolarHBondContact O-N 3.29Å; E425-K428 WeakPolarHBondContact O-CB 3.39Å; E425-K428 PolarHBondContact O-N 3.17Å; K426-K428 PolarHBondContact O-N 3.06Å; K428-D430 VanDerWaalsContact C-N 3.35Å |
| 429 | A | 86 | Confident | 91.6 | Very high | 82 Ų | 82 | 67.6 Ų | 67.6 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76.5 | -24.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E425 K426 M427 | E425-A429 PolarHBondContact O-N 3.46Å; E425-A429 VanDerWaalsContact O-N 3.1Å; K426-A429 PolarHBondContact O-N 3.26Å; M427-A429 VanDerWaalsContact C-N 3.34Å |
| 430 | D | 76.9 | Confident | 91 | Very high | 143 Ų | 143 | 71.5 Ų | 71.5 | 77% | 0.765 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -84.8 | -14 | 177.7 | -65.3 | -26.5 | 0 | 0 | 0 | 113.4 | K426 M427 K428 | K426-D430 PolarHBondContact O-N 3.33Å; K426-D430 VanDerWaalsContact O-N 3.16Å; M427-D430 PolarHBondContact O-N 3.37Å; K428-D430 VanDerWaalsContact C-N 3.35Å |
| 431 | C | 63.8 | Low | 90.4 | Very high | 156 Ų | 156 | 78 Ų | 78 | 100% | 1.054 | 44% | 0.441 | S | S | * | . | trans | -97.5 | 0 | 175.9 | -69.8 | 0 | 0 | 0 | 0 | 111.1 | M427 | M427-C431 PolarHBondContact O-N 3.25Å; M427-C431 PolarHBondContact O-SG 3.03Å; M427-C431 VanDerWaalsContact O-SG 3.33Å |
Retrieved 431 of 431 residues in 86.6 ms
(Link to these results)